data_2lw8_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 2lw8 _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 ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.98 155.36 47.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.48 153.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -83.74 154.06 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 64' ' ' THR . 0.7 OUTLIER -69.64 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 1.2 tm? -165.37 141.45 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 35.0 t0 -124.8 148.99 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 p -68.24 -31.12 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -81.55 -35.65 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 47.5 t -64.78 -29.83 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.24 -46.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.0 -61.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.21 171.78 2.01 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 16.2 pt-20 -57.64 155.06 10.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.39 -16.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.0 28.05 3.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.594 ' CZ2' ' OH ' ' A' ' 44' ' ' TYR . 1.1 m-90 -52.56 148.15 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -160.77 35.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.24 155.07 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p 158.67 155.77 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -166.28 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -67.51 -43.03 81.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mt-10 165.79 151.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.53 -33.12 5.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.9 -115.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CE3' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.7 138.83 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.0 150.32 36.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.29 111.89 24.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 ' CG2' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.44 137.27 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -91.93 131.49 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -128.87 168.78 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 38' ' ' ASN . 24.7 tpp -83.12 135.81 34.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.11 -173.94 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.16 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -100.81 163.13 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 2.5 t-20 -65.1 -51.4 61.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -63.18 133.03 95.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.09 41.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pt -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -81.64 124.86 29.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -130.49 -178.13 4.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.594 ' OH ' ' CZ2' ' A' ' 19' ' ' TRP . 2.3 m-85 -140.44 136.32 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' CG2' ' A' ' 31' ' ' VAL . 4.9 mt-30 -131.54 136.54 47.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 46' ' ' VAL . 15.0 p -136.47 110.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -133.05 121.08 22.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.63 103.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 1.3 p -125.81 59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -1.3 11.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.94 108.9 0.22 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.02 122.24 7.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER 155.87 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.94 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -54.15 129.99 36.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -116.19 73.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.25 116.6 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -102.04 119.7 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.511 HD22 ' CE3' ' A' ' 28' ' ' TRP . 1.5 mm? -129.81 137.24 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.94 147.36 41.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.453 ' OG1' ' CE2' ' A' ' 159' ' ' PHE . 17.5 m -128.09 126.66 41.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.21 -179.74 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 76.5 61.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.609 ' O ' ' CD1' ' A' ' 155' ' ' PHE . 5.1 tt -148.18 156.62 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.526 ' HA ' ' CG ' ' A' ' 155' ' ' PHE . 1.0 OUTLIER -155.61 143.81 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 162.14 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.33 179.67 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.33 -51.06 61.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.11 143.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -43.58 -37.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 175.11 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 146' ' ' ASP . 0.6 OUTLIER -128.82 170.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -108.56 129.38 55.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.39 140.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -125.15 119.96 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.459 ' CG2' HG22 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -109.71 134.03 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -116.36 119.71 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -138.78 161.02 38.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 167' ' ' ALA . 1.8 m -133.24 126.92 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.53 159.7 28.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -88.9 110.58 21.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -57.32 124.78 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.82 -19.73 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.351 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -26.27 61.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -91.1 -16.21 28.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.29 114.28 52.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.12 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.71 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.065 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 89' ' ' MET . 4.1 p -68.02 -50.12 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 161.46 -47.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.961 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.2 27.73 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 91' ' ' THR . 2.2 t -143.45 42.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.77 135.8 53.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 131.38 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -107.08 42.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -154.58 156.38 36.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -129.58 168.41 16.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 87.0 m-20 -128.51 127.69 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.495 ' CD2' ' CD1' ' A' ' 122' ' ' ILE . 0.2 OUTLIER -112.05 134.7 53.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.506 ' CE2' ' HB3' ' A' ' 118' ' ' LYS . 83.2 m-85 -129.8 169.98 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.566 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.9 p90 -138.48 164.6 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.08 14.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -125.26 153.86 42.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -166.45 170.18 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.34 167.9 13.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.0 -41.0 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.57 96.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.83 -63.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 110' ' ' PHE . 3.9 tt0 -173.77 157.84 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 77.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 108' ' ' GLU . 45.2 m-85 -76.8 144.06 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.2 mm -59.61 -34.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -65.35 -43.58 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.92 -52.3 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.02 -44.91 71.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -42.17 107.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -61.95 173.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 37.2 t -151.02 127.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 21.8 pttt -66.68 148.63 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mm -94.43 -62.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.45 171.63 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 m -93.24 128.78 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 98' ' ' LEU . 6.5 pt -117.15 139.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.78 166.54 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -57.69 172.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.8 t0 80.51 -155.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 70.99 -62.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -139.87 59.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 128' ' ' PHE . 55.9 p90 -88.14 125.05 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 140' ' ' LEU . 28.9 m -109.7 143.77 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.84 115.21 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -121.82 143.15 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.63 93.02 8.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.9 tt -121.67 160.85 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.39 10.0 10.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 3.5 t0 -80.04 -53.38 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.808 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 138' ' ' MET . 5.4 mtt-85 164.44 -53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.3 mt -48.51 96.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 15.7 ttt -94.41 -31.36 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -122.65 100.97 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.447 ' CD2' ' HB ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -86.31 140.65 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -122.81 126.3 47.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.5 m -116.76 129.73 56.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -126.74 131.38 51.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.91 122.97 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -138.64 165.01 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 71' ' ' VAL . 1.6 p30 -136.06 160.9 37.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 142.36 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 149' ' ' PRO . . . 174.08 61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -74.98 -79.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.9 119.69 9.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -33.87 70.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 153' ' ' LYS . 3.1 ptmt -54.32 -49.11 70.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 152' ' ' LYS . 0.8 OUTLIER 164.77 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 107.88 108.48 3.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -142.06 109.65 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 155' ' ' PHE . 5.7 m-85 -160.79 128.46 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.2 151.09 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.49 136.22 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.453 ' CE2' ' OG1' ' A' ' 60' ' ' THR . 10.1 m-85 -118.27 143.28 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.22 123.73 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -119.92 136.01 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 6.7 m -136.92 109.96 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 41.08 60.0 2.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -149.09 148.38 29.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 89.5 m -104.08 105.71 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.416 ' CD1' ' C ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -146.12 146.18 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.42 155.1 46.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -92.59 127.93 38.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.409 ' O ' ' OG ' ' A' ' 170' ' ' SER . 45.3 t -95.93 -50.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 169' ' ' VAL . 0.7 OUTLIER -171.74 168.3 6.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.459 HG22 ' CG2' ' A' ' 75' ' ' ILE . 7.9 p -150.32 137.43 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -144.83 147.84 33.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 62.6 t -122.4 145.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CZ ' ' O ' ' A' ' 175' ' ' TYR . 51.1 t80 -152.17 151.58 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . 0.412 ' O ' ' CZ ' ' A' ' 174' ' ' PHE . 26.8 p90 -103.36 147.14 27.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 155.82 49.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.56 154.86 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.224 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -103.62 153.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.6 p -85.7 133.42 34.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.5 tm? -88.33 -47.27 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.74 120.02 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 42.2 m-20 -122.57 148.36 45.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -31.83 70.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -82.53 -40.97 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.62 -11.37 60.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 9' ' ' ASP . 2.6 t -65.01 -64.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 30.9 mt-30 81.79 -45.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -59.61 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -65.94 -164.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER 170.85 -26.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.61 -19.4 3.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 58' ' ' LEU . 9.6 m0 67.65 155.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.98 29.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 58' ' ' LEU . . . -140.24 128.56 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.39 154.35 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.23 -43.37 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 170.11 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -36.46 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.38 -101.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.588 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -68.03 133.14 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.71 150.0 41.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -96.29 121.83 38.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' CG ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.03 137.88 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 p -100.0 126.84 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 33' ' ' ILE . 1.8 pp -136.61 169.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 127.6 34.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -173.43 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.2 -22.15 66.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -100.69 167.91 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.36 162.75 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.3 m 62.63 127.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 157.64 42.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.409 1.742 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.67 153.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -76.77 125.57 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 2.5 p -126.41 165.74 18.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 38.7 m-85 -127.57 137.07 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -139.99 142.4 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.23 107.62 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.1 m -128.06 128.16 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -173.38 104.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.9 151.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.229 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 ttt 178.24 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.33 156.41 31.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 1.3 p 171.75 104.53 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 0.0 110.057 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CD ' ' OE1' ' A' ' 160' ' ' GLN . 14.6 pt20 -56.28 151.76 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 53' ' ' SER . 9.5 m-80 -151.02 -43.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -70.86 115.42 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.415 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 23.5 t90 -125.8 143.22 51.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.657 1.223 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 19' ' ' TRP . 1.4 mm? -141.64 138.33 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.48 143.7 24.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 60' ' ' THR . 8.5 t -133.99 101.26 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 156' ' ' TYR . 4.8 t0 -134.1 115.22 14.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER 165.49 44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 108.063 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.26 150.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 153' ' ' LYS . 5.8 p -144.77 113.55 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.0 165.94 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -127.7 150.9 49.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.51 -144.74 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.52 -53.37 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -176.13 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -134.42 148.28 50.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.587 ' HB ' ' CD1' ' A' ' 175' ' ' TYR . 0.7 OUTLIER -132.88 -172.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.378 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.696 ' CB ' ' CZ ' ' A' ' 174' ' ' PHE . 20.3 m-85 -134.3 130.04 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG13 ' CG1' ' A' ' 173' ' ' VAL . 1.0 OUTLIER -123.71 127.82 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -109.75 109.09 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' CG2' HG11 ' A' ' 171' ' ' VAL . 2.9 mt -101.37 134.32 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 118.7 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.409 ' CE1' ' HE2' ' A' ' 96' ' ' PHE . 34.0 p90 -140.19 154.38 46.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 167' ' ' ALA . 23.4 m -125.95 125.22 42.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.9 156.0 29.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -81.91 134.66 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -76.88 147.27 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.78 -20.45 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 108.278 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -84.75 -17.66 37.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.17 123.52 88.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.06 3.21 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.84 70.1 1.12 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.609 1.193 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' GLY . 10.5 p -86.98 62.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt 66.58 -62.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.29 27.43 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -124.7 32.62 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.469 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -114.75 133.72 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 164.1 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 95' ' ' THR . 2.2 mt-10 -138.81 67.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 94' ' ' GLU . 5.7 p -159.17 137.77 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CZ ' ' HB ' ' A' ' 166' ' ' ILE . 1.3 m-85 -120.62 169.5 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.9 m-80 -127.17 136.24 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 122' ' ' ILE . 6.6 mt -108.41 128.27 54.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 97.5 m-85 -128.22 153.11 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' HG13 ' A' ' 119' ' ' ILE . 16.6 m-85 -140.26 159.57 41.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 101' ' ' TYR . 4.9 p90 -161.13 141.91 11.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 150' ' ' LEU . 2.6 mt-10 -129.6 140.84 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 152' ' ' LYS . 8.0 t -87.6 141.15 28.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.53 176.43 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.07 -40.61 78.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.16 -166.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 108' ' ' GLU . 0.2 OUTLIER 61.7 -171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 84.6 111.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.73 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.28 141.68 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.27 -38.1 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -45.14 95.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -44.6 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -55.97 -37.31 68.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -41.86 134.07 2.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.91 167.3 13.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.81 121.81 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -73.04 130.84 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 100' ' ' TYR . 26.3 mm -89.5 -75.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.65 177.31 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.8 m -96.71 130.28 43.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.478 HD12 ' CD1' ' A' ' 98' ' ' LEU . 3.4 pt -116.09 140.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -146.32 166.43 26.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.42 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -57.93 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -178.57 -167.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -60.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.28 75.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 36.6 p90 -100.2 121.55 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.9 p -125.58 108.4 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -82.46 108.17 15.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.77 143.06 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.18 93.59 6.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.1 tt -121.63 160.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.97 13.25 7.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 136' ' ' ARG . 8.1 p-10 -79.87 -50.3 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER 163.33 -51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.3 mt -60.95 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -91.03 -30.29 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 101.92 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.409 ' C ' ' OD1' ' A' ' 141' ' ' ASN . 6.4 tt -85.52 126.45 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.4 OUTLIER -127.59 128.84 46.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 m -119.05 136.15 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -125.63 130.84 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 61.0 mt -104.5 132.0 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -130.49 162.15 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.99 141.44 51.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -153.36 165.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.44 168.31 12.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -37.24 2.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.533 1.807 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.4 ' CD2' ' OE2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER 77.47 152.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 m -63.1 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 103' ' ' SER . 3.7 tptt -62.95 -26.81 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.48 ' O ' ' CG2' ' A' ' 64' ' ' THR . 1.5 mtpt 77.2 49.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -142.74 132.38 5.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 11.9 p90 -142.68 109.7 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -129.17 151.19 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 100' ' ' TYR . 1.5 pt? -135.53 145.96 47.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.07 144.52 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.424 ' CE2' ' CB ' ' A' ' 58' ' ' LEU . 38.9 p90 -131.07 159.3 37.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.408 ' OE1' ' CD ' ' A' ' 54' ' ' GLN . 3.0 tt0 -137.71 127.41 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.482 ' OD2' ' CG2' ' A' ' 166' ' ' ILE . 0.8 OUTLIER -90.86 113.21 25.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' GLY . 14.0 p -77.42 95.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 33.81 53.01 0.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.385 1.053 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . 0.405 ' O ' ' OD2' ' A' ' 161' ' ' ASP . . . -133.5 165.23 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.65 119.87 39.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 108.353 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -147.9 141.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -123.21 157.26 33.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.92 113.74 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.71 -55.44 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.4 t -168.47 163.36 12.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.066 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.483 HG11 ' CG2' ' A' ' 75' ' ' ILE . 28.9 m -150.59 104.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.89 146.66 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 73' ' ' ILE . 21.2 t -123.49 135.14 64.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.696 ' CZ ' ' CB ' ' A' ' 72' ' ' TYR . 4.6 p90 -153.06 149.53 28.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . 0.587 ' CD1' ' HB ' ' A' ' 71' ' ' VAL . 4.4 m-30 -99.8 156.15 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -136.93 151.27 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.74 145.43 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.228 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.04 167.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -78.24 135.45 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.88 -53.6 44.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' HB ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -166.37 135.17 2.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' OD1' ' CG ' ' A' ' 172' ' ' ARG . 1.2 m-20 -122.63 160.31 26.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -62.4 -27.65 69.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -97.7 -40.83 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t -67.18 -17.58 64.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 10' ' ' SER . 7.6 p -63.3 -58.85 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 1.4 mt-30 84.61 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -58.65 -125.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 22.1 mt-10 -61.29 -138.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.4 tp 97.43 -9.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' CD1' ' A' ' 19' ' ' TRP . . . -69.48 0.0 21.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 95.99 150.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -121.21 -40.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' O ' ' CE3' ' A' ' 19' ' ' TRP . . . -130.8 -145.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 79.33 157.75 0.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -74.96 164.6 33.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -69.52 -43.76 72.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.7 mt-10 -151.38 159.67 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.99 -34.61 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.14 -109.87 3.43 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -67.16 140.18 57.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -144.68 150.91 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.53 119.66 37.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.588 ' CG2' ' NE2' ' A' ' 45' ' ' GLN . 13.4 m -133.74 127.54 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.5 m -89.56 126.58 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.9 171.9 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.17 134.83 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -177.37 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.08 -34.95 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -87.39 162.98 17.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.1 172.97 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 12.3 m 61.5 133.58 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 158.35 42.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.054 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.52 154.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -88.01 124.79 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 p -129.54 152.41 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.436 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.415 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 4.0 m-85 -118.84 135.93 54.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.588 ' NE2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.75 153.17 43.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 46' ' ' VAL . 6.4 p -137.14 118.16 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.26 122.57 22.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -162.34 104.47 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -138.02 84.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.3 mtp -140.47 -97.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.553 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 1.3 mt-10 -85.28 -59.34 0.32 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -75.01 148.68 35.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 p -80.08 -90.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 162' ' ' VAL . 0.8 OUTLIER -52.95 147.99 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.703 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.9 OUTLIER -96.05 -49.06 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER 170.09 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.453 ' CD1' ' OE1' ' A' ' 160' ' ' GLN . 20.3 t90 -96.21 137.24 35.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 22' ' ' SER . 1.5 mt -136.8 144.49 43.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.414 ' HA ' ' CB ' ' A' ' 158' ' ' ALA . 3.0 ptp180 -135.68 157.28 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -130.76 93.99 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.462 ' HA ' ' CB ' ' A' ' 156' ' ' TYR . 1.3 p-10 -85.96 -175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 70.42 54.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 108.041 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 156' ' ' TYR . 1.8 tt -148.62 140.93 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.68 131.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.32 158.05 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.23 151.6 51.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.84 -159.28 9.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.34 55.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.15 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 150.93 49.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG2' HG11 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -132.67 -169.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -139.95 130.39 25.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.89 127.88 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 115.6 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 mt -101.0 130.79 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.04 119.46 39.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 141' ' ' ASN . 24.6 p90 -140.45 161.12 38.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -126.94 127.63 45.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 HD22 ' CA ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -107.79 143.5 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -88.89 147.0 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -80.67 124.55 29.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -30.12 50.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 108.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -21.92 66.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -93.88 -14.46 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 137.34 89.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.07 74.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 89' ' ' MET . 8.5 p -64.14 -43.31 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.43 ' N ' HG12 ' A' ' 88' ' ' VAL . 0.4 OUTLIER 74.65 -1.97 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.8 23.53 37.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 91' ' ' THR . 2.7 t -139.24 39.22 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.09 148.8 38.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.63 164.96 11.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.458 ' C ' ' CG2' ' A' ' 95' ' ' THR . 1.1 pt-20 -149.41 46.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.458 ' CG2' ' C ' ' A' ' 94' ' ' GLU . 6.7 p -150.62 168.14 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.628 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -143.41 151.89 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -103.2 138.59 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.658 ' CD1' ' CE1' ' A' ' 159' ' ' PHE . 0.7 OUTLIER -109.47 137.72 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -137.01 170.6 15.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.548 ' CD1' HD12 ' A' ' 119' ' ' ILE . 38.9 p90 -150.3 162.33 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -152.8 124.7 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 155' ' ' PHE . 0.4 OUTLIER -126.37 151.82 47.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 t -148.7 165.54 31.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -102.08 172.99 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.306 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 3.1 m120 -57.21 -42.08 80.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER 162.35 131.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.34 -93.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 110' ' ' PHE . 3.3 pm0 -116.62 -33.39 4.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.64 88.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 108' ' ' GLU . 59.7 m-85 -71.35 143.95 50.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.53 -40.25 73.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -67.62 -51.24 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.06 -44.78 71.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -33.8 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.54 140.67 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -61.87 157.85 17.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 100' ' ' TYR . 17.2 t -139.97 119.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -83.51 142.59 30.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.548 HD12 ' CD1' ' A' ' 100' ' ' TYR . 33.1 mm -84.64 -72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -169.04 178.25 4.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.4 m -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -114.61 143.36 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.59 164.82 29.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.85 92.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER 175.0 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 69.86 -60.94 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.8 OUTLIER -137.16 108.16 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 29.1 p90 -123.33 123.19 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.8 m -108.6 142.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.15 108.78 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.55 143.04 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.73 93.45 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.467 ' CG2' ' OD1' ' A' ' 135' ' ' ASP . 5.6 tt -121.91 160.24 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -128.04 19.53 5.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.467 ' OD1' ' CG2' ' A' ' 133' ' ' ILE . 27.6 p-10 -80.4 -50.98 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.7 -77.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 137' ' ' ILE . 5.0 tp -76.8 108.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -92.74 4.24 54.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 101.48 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.63 133.36 34.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -97.76 124.46 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.14 123.82 41.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 13.9 mm-40 -115.92 129.84 56.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 68.0 mt -103.07 133.53 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 176.2 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -136.46 141.3 43.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.483 HG21 ' CE1' ' A' ' 155' ' ' PHE . 0.3 OUTLIER -158.18 166.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.562 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 147.63 -47.51 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.0 Cg_endo -74.98 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -178.26 104.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 59.3 p -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -29.75 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 -159.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 39.21 67.74 0.56 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 147' ' ' VAL . 7.3 p90 -132.92 167.94 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 8.0 p90 -135.57 -178.72 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.647 ' CD1' ' CE2' ' A' ' 159' ' ' PHE . 1.2 pp -130.55 151.35 51.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 59' ' ' ARG . . . -134.52 158.29 44.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' A' ' 98' ' ' LEU . 96.3 m-85 -121.66 154.23 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.453 ' OE1' ' CD1' ' A' ' 57' ' ' TRP . 0.8 OUTLIER -134.7 129.61 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 102.43 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.629 ' CG1' ' O ' ' A' ' 162' ' ' VAL . 1.1 p -99.36 95.23 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 47.31 47.18 21.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.73 164.65 28.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 76.0 m -121.13 100.39 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.419 ' CD1' ' C ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -133.61 152.83 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -124.36 155.99 37.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.5 mt -107.8 105.88 15.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.87 -56.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.1 t -174.37 173.15 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 171' ' ' VAL . 5.4 p -148.01 103.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.433 ' CG ' ' OD1' ' A' ' 9' ' ' ASP . 7.0 tmm_? -101.84 146.13 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 72.3 t -107.18 154.07 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.416 ' CD1' ' NH1' ' A' ' 172' ' ' ARG . 1.5 t80 -152.66 163.1 40.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 176' ' ' LYS . 13.4 t80 -144.5 158.54 43.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 175' ' ' TYR . 1.3 tppt? -134.02 146.08 50.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.396 1.06 . . . . 0.0 109.272 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -89.16 153.35 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.62 159.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -83.04 135.25 34.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.92 -69.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.51 120.18 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -123.53 146.99 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -80.77 -31.13 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -80.14 -45.23 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -57.83 -31.32 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 14' ' ' GLN . 10.3 p -85.55 -47.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER 73.2 -56.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -54.57 -163.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -53.8 163.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.55 -15.16 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 113.1 31.41 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.3 p-90 -41.36 130.12 2.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.26 -56.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -102.27 -179.66 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 p 157.56 148.7 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.437 ' HD3' ' ND2' ' A' ' 56' ' ' ASN . 18.2 Cg_endo -75.03 -178.45 4.18 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -67.8 -44.1 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mt-10 162.28 163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.21 -31.51 6.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.51 -89.95 1.32 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.1 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -138.45 144.52 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.43 117.41 34.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.578 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -134.15 137.37 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.6 p -89.68 126.95 35.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 33' ' ' ILE . 1.8 pp -130.51 171.66 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.39 127.61 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.21 -172.31 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.76 -31.98 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -96.68 166.51 11.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.12 -64.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -52.13 118.34 12.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.41 42.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.16 150.85 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -78.52 125.47 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -116.63 -170.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -141.09 138.67 33.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.592 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 20.4 mp0 -125.91 134.11 51.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 46' ' ' VAL . 14.4 p -137.65 108.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 23.0 t -130.77 129.12 42.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 171.43 103.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 51' ' ' GLU . 23.8 m -102.06 -22.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -26.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -81.31 176.62 3.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' SER . 18.0 Cg_endo -75.06 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' PRO . 14.0 p -30.31 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 160' ' ' GLN . 11.1 mt-30 -85.99 151.22 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -118.25 -38.44 3.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 57' ' ' TRP . 4.8 t-20 -147.86 149.91 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.378 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.442 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 21.8 t90 -119.73 134.43 55.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 108.03 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 159' ' ' PHE . 1.8 tp -138.92 139.93 38.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 162.15 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.75 143.77 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.0 OUTLIER 174.94 -177.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.75 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 64' ' ' THR . 89.1 mt -141.37 138.62 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.413 ' N ' HG21 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -59.57 144.84 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -131.18 155.23 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.228 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.84 152.51 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -142.98 -179.07 19.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.27 71.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.465 ' HA ' ' CD ' ' A' ' 149' ' ' PRO . 4.0 tt0 -171.02 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -138.73 146.29 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 m -133.59 -173.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 174' ' ' PHE . 5.4 m-85 -139.1 130.62 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.79 127.76 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -114.55 118.08 32.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -107.82 151.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 3.8 mttt -131.44 119.89 22.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 75' ' ' ILE . 11.1 m-85 -139.39 161.25 37.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -136.9 127.17 26.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.64 163.04 26.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -86.18 138.47 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.1 127.4 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.11 -26.85 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.51 -24.85 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -92.85 -11.57 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.9 116.39 51.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.7 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.91 57.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 89' ' ' MET . 0.9 OUTLIER -45.69 -51.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.544 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 5.0 ttt 84.51 -42.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.72 -24.4 13.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 t -84.17 21.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.3 126.96 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER -103.73 166.79 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.63 35.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.428 HG21 ' CB ' ' A' ' 123' ' ' ALA . 62.0 p -152.1 162.0 41.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 166' ' ' ILE . 31.6 m-85 -129.3 164.96 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 62.4 m-80 -129.29 119.63 24.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 140.37 39.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.247 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 97' ' ' ASN . 50.4 m-85 -136.37 160.31 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.8 p90 -135.55 167.39 21.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -160.02 115.28 2.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.02 135.21 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.6 t -165.72 170.1 14.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -85.39 -179.72 7.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.31 -40.42 93.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.65 141.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -57.06 171.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -88.56 170.66 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -161.76 -60.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -70.67 142.65 51.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.1 pt -78.04 -31.07 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.197 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -66.73 -43.03 85.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.72 64.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -57.08 -45.66 83.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.61 113.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -76.15 165.33 25.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 40.4 t -120.46 124.54 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -56.59 140.34 46.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.3 mm -82.91 -67.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.01 160.97 10.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 m -90.96 123.08 34.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 4.0 pt -115.7 144.52 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' CB ' HG21 ' A' ' 95' ' ' THR . . . -148.01 165.47 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.96 93.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.6 OUTLIER 174.64 -164.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 3.9 tt0 67.97 -61.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.5 OUTLIER -117.34 95.17 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 28.5 p90 -118.9 122.91 43.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 66.2 p -132.54 122.42 24.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.82 110.24 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.0 143.12 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.56 96.07 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.22 153.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.39 -32.19 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.3 -54.6 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.391 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 172.51 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.1 mt 74.7 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.77 -23.56 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -112.1 103.43 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 1.6 mm? -85.02 117.48 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.5 OUTLIER -111.54 125.15 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.4 m -122.76 132.78 54.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.085 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.21 131.11 41.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 145' ' ' ARG . 45.1 mt -101.97 144.27 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 144' ' ' ILE . 0.3 OUTLIER -134.75 171.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.25 142.72 44.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.83 152.63 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.26 169.96 16.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.465 ' CD ' ' HA ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.12 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.07 140.28 17.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.1 p -62.04 -40.33 95.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.0 -36.03 79.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 65.83 120.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 144.37 76.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.486 ' CD2' HD22 ' A' ' 157' ' ' LEU . 6.3 p90 -93.17 130.58 38.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.54 140.67 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 155' ' ' PHE . 1.9 mm? -105.93 141.45 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.71 134.7 28.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 p90 -145.58 145.1 30.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 54' ' ' GLN . 17.1 tt0 -130.17 138.66 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.55 119.15 32.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 163' ' ' GLY . 0.7 OUTLIER -80.77 84.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 29.07 65.94 0.1 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -136.36 164.53 27.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 84.6 m -103.8 99.91 9.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.476 HG21 ' CE1' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -141.42 151.52 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -129.32 153.35 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.58 HD13 ' CE1' ' A' ' 77' ' ' PHE . 2.2 mm? -87.37 115.8 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.437 ' HB ' ' C ' ' A' ' 76' ' ' LYS . 43.1 t -85.32 -55.92 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' SER . . . . . 0.401 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 1.4 t -166.31 164.8 17.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 171' ' ' VAL . 2.3 m -150.24 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -112.39 161.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 91.9 t -145.35 139.2 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 174' ' ' PHE . 1.2 p90 -152.76 169.04 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -125.0 150.27 46.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.28 121.18 17.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 151.28 23.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -102.59 158.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -75.92 139.56 41.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 174' ' ' PHE . 4.3 mm? -70.64 -58.87 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.74 115.22 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.379 1.049 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -110.74 151.2 28.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.9 m -90.66 -31.16 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.51 -45.4 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -56.5 -33.16 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -89.83 -40.16 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 75.47 -56.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.14 171.97 5.99 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -57.65 157.52 7.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 -14.6 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 35.36 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' ALA . 2.2 p-90 -75.16 133.39 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 4.7 mt -134.93 57.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' A' ' 58' ' ' LEU . . . -138.49 135.87 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 p 179.89 136.55 0.28 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.3 mm? -76.09 -41.24 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.6 mt-10 163.35 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.37 26.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -126.28 -115.09 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CE3' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -64.15 122.64 17.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -124.58 145.61 49.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.12 115.04 28.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -132.79 127.36 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -86.13 137.33 32.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pp -120.47 170.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 ttp -87.04 127.63 35.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -107.51 179.57 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -21.61 24.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.19 169.55 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -65.29 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -48.68 115.71 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 156.61 43.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.67 153.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 16' ' ' GLU . 7.8 ptp180 -87.05 125.28 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -122.82 163.82 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -117.59 137.18 52.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.56 144.87 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.86 150.08 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -164.05 105.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.56 104.13 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.5 125.63 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.383 1.052 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -173.34 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 179.2 -58.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 p -111.4 94.9 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 161' ' ' ASP . 24.1 mt-30 -85.03 131.11 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.8 87.31 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.217 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -65.84 122.32 17.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.405 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.1 t90 -74.75 123.24 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.574 HD22 ' CE3' ' A' ' 28' ' ' TRP . 1.2 mm? -131.51 131.59 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' NH2' ' CE2' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -110.06 151.1 27.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -131.83 164.35 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' THR . 3.1 t70 82.37 162.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -142.62 -60.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 HD11 ' N ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -113.93 137.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.422 ' N ' HD11 ' A' ' 63' ' ' ILE . 58.8 m -76.43 145.42 39.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -115.29 160.03 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.24 172.96 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.83 166.55 27.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.0 -90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -116.36 -37.58 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 176' ' ' LYS . 0.0 OUTLIER -136.6 155.45 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 147' ' ' VAL . 1.6 m -132.18 -177.78 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -121.99 130.8 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER -135.74 143.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -134.9 150.43 50.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.13 139.2 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.75 118.01 32.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -140.74 159.36 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 167' ' ' ALA . 6.0 p -130.68 125.32 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -125.09 153.53 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.369 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -84.51 127.84 34.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.22 123.75 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.29 -21.62 63.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -87.04 -20.98 26.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 159.43 79.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.443 1.76 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 88' ' ' VAL . . . -66.21 -48.69 62.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.521 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER 87.29 -20.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.15 -58.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.07 28.09 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 91' ' ' THR . 2.2 t -147.13 43.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.9 131.32 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -106.05 155.73 19.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.03 42.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 25.5 p -139.03 137.11 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CE1' HG21 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -120.83 138.47 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.02 145.62 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 122' ' ' ILE . 2.2 mt -117.5 142.31 47.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -138.15 157.16 46.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.563 ' CD2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -100.01 168.1 10.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 87.8 t80 -162.54 101.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.177 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.26 154.74 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.34 162.02 40.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -99.23 154.13 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.03 -25.13 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.4 88.86 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.97 116.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.46 175.24 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 56.78 165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -73.04 137.83 45.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 pp -85.25 -37.39 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -57.98 -51.82 68.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -51.37 70.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 6.8 m-80 -57.56 -51.48 69.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 10.5 pt20 48.34 -176.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -81.93 164.58 21.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.71 113.61 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -59.04 128.1 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 100' ' ' TYR . 2.0 mm -86.5 -70.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -169.88 178.86 3.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.2 m -108.08 128.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 98' ' ' LEU . 5.4 pt -117.04 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.59 166.27 23.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -73.03 170.56 14.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 2.6 t70 89.13 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' ASP . 45.5 mm-40 -37.96 -41.38 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 m -149.24 61.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 4.8 p90 -66.47 122.26 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.8 m -129.37 145.41 51.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -107.04 107.81 19.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 138' ' ' MET . 10.2 p -120.77 144.5 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.16 92.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -122.72 150.17 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.6 8.81 10.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -79.77 -54.34 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 137' ' ' ILE . 1.6 mtm-85 163.07 157.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.47 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 4.7 tp 42.66 94.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' VAL . 2.0 ttm -83.82 15.2 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.99 100.95 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER -85.58 138.29 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.79 125.11 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 m -123.05 139.48 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -129.27 130.1 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -97.13 124.67 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.468 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 2.2 ttm105 -129.65 165.47 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.375 1.047 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -136.4 161.81 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 71' ' ' VAL . 1.1 m -156.13 154.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -101.61 147.51 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.598 1.186 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.48 12.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.29 145.78 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -45.24 94.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -26.35 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt 79.03 109.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 151.12 58.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 1.8 p90 -89.94 127.25 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -129.68 134.08 47.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -109.23 144.65 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 157' ' ' LEU . . . -141.46 151.65 43.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 p90 -130.56 156.14 45.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -131.75 122.26 25.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 54' ' ' GLN . 19.2 t70 -100.9 133.25 45.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' GLY . 1.2 m -133.25 126.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 36.68 60.3 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 141.71 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.04 101.36 11.13 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.581 HG21 ' CE1' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -137.26 155.05 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.02 150.24 50.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 168' ' ' LEU . 2.8 mm? -96.12 113.11 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.94 -55.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.6 m -168.29 -176.99 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.62 156.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -139.6 154.81 47.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.8 140.36 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 32.0 t80 -152.39 168.43 25.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -129.5 167.89 17.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -137.21 155.95 48.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 174' ' ' PHE . 4.1 tp10 -126.58 156.93 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -106.68 159.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -102.25 143.18 32.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -73.19 -66.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 125.49 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 10' ' ' SER . 39.8 t0 -126.85 146.86 50.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -69.58 -31.55 69.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -79.94 -37.29 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 32.3 t -63.9 -28.86 70.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 14' ' ' GLN . 5.7 m -89.27 -39.54 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' VAL . 49.4 mt-30 74.19 -57.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.26 -155.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -56.2 142.2 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.06 -14.78 15.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.79 8.26 34.88 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.454 ' CD1' ' OH ' ' A' ' 44' ' ' TYR . 64.6 p-90 -60.59 127.13 30.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -138.24 54.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -135.41 161.26 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 3.5 p 164.76 114.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.9 mp -66.17 -44.41 84.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.1 mt-10 160.51 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.96 -32.65 4.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.34 -119.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -65.7 140.11 58.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -141.23 150.26 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.34 124.35 37.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.551 ' CG1' ' NE2' ' A' ' 45' ' ' GLN . 3.8 p -135.0 138.3 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 m -104.45 124.72 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.57 172.3 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.78 144.11 27.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.06 -179.57 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 6.1 pt-20 -56.76 -33.19 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -94.49 169.63 10.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.218 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.72 164.63 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.0 m 60.98 125.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 156.41 42.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.9 145.96 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -72.3 125.89 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -120.72 178.91 4.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 17.0 m-85 -143.36 138.17 29.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.551 ' NE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.87 150.69 46.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.95 115.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 43.6 t -132.78 126.74 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -173.2 103.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.73 106.42 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' GLU . 2.1 mtm 169.56 38.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.575 ' N ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 mt-10 37.05 55.71 3.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -74.92 0.8 8.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m 47.04 45.75 15.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -87.19 137.22 32.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.2 91.46 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -83.73 116.84 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.533 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 26.8 t90 -104.4 115.99 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' HG ' ' CB ' ' A' ' 21' ' ' ALA . 3.0 mt -134.54 124.54 25.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 7.5 ptm180 -129.62 144.02 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.575 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 52.3 m -123.33 93.7 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 156' ' ' TYR . 2.1 t70 -142.91 -78.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 83.34 -72.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.413 ' O ' ' OH ' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -141.04 148.56 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -129.79 165.97 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 173.69 8.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 155' ' ' PHE . . . -167.54 -176.13 38.0 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.65 -155.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -37.73 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.46 44.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.544 HG12 ' CD2' ' A' ' 155' ' ' PHE . 0.5 OUTLIER -140.83 168.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.489 ' N ' ' CG2' ' A' ' 71' ' ' VAL . 12.8 m-85 -134.55 144.24 47.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.3 mp -135.13 130.85 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -117.59 109.78 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.67 130.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -113.75 117.86 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.3 161.57 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 139' ' ' LYS . 1.1 m -122.78 127.18 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 80' ' ' ARG . 3.4 tt -108.83 133.09 53.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' N ' HD22 ' A' ' 79' ' ' LEU . 20.5 mmt85 -77.87 113.15 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.7 123.87 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.438 ' CB ' HG22 ' A' ' 88' ' ' VAL . 11.3 m -70.02 -35.56 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -22.32 66.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -17.52 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 122.81 69.99 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.23 9.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.19 78.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 89' ' ' MET . 4.9 p -58.59 -42.81 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.505 ' C ' ' H ' ' A' ' 91' ' ' THR . 5.9 mmt 63.72 153.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.7 41.74 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.505 ' H ' ' C ' ' A' ' 89' ' ' MET . 6.5 t -134.15 31.94 3.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.9 138.72 49.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 134.23 33.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.23 33.71 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.5 p -136.55 127.0 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -105.97 133.51 50.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.07 130.24 36.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 tp -114.61 121.27 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -121.6 149.06 43.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CD1' HG13 ' A' ' 119' ' ' ILE . 3.5 m-85 -124.63 162.63 23.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -161.16 129.22 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.47 134.21 52.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 153' ' ' LYS . 0.6 OUTLIER -166.53 155.18 10.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -104.4 167.03 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -39.94 77.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.72 78.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 165.35 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 48.44 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -66.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.31 132.88 38.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -84.31 -26.92 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.99 -42.79 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -54.74 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -66.01 -51.59 56.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 55.98 170.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -81.02 167.53 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.5 t -122.38 122.66 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -83.59 127.81 34.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.596 HG13 ' CD1' ' A' ' 100' ' ' TYR . 9.2 mm -86.88 -80.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -166.26 177.42 6.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 75.0 m -101.69 130.26 48.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.12 140.56 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -142.87 168.5 19.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 123' ' ' ALA . 3.1 t0 179.91 -159.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.17 . . . . 0.0 109.245 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 68.76 -61.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 125' ' ' ASP . 2.8 t -148.4 80.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 128' ' ' PHE . 30.6 p90 -116.86 126.99 53.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.4 m -121.04 143.31 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -101.13 109.12 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.59 141.69 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -83.52 93.83 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -122.12 146.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.63 13.21 46.79 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.73 -54.01 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 168.37 -67.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 1.0 OUTLIER -52.91 109.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.2 ttt -96.15 -31.88 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.413 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -123.43 100.31 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.12 135.54 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -117.23 129.78 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.04 126.99 53.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -137.67 130.63 30.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.7 mt -121.42 148.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.51 161.92 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.84 159.34 36.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 2.9 p -158.32 164.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.72 65.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -79.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.17 124.75 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 88.1 p -71.11 -39.54 72.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -28.37 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 103' ' ' SER . 6.9 mmmt -89.4 162.48 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 155' ' ' PHE . . . -78.96 -163.53 25.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.592 1.183 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 67' ' ' GLY . 23.3 m-85 -142.22 121.14 12.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 60' ' ' THR . 4.4 m-85 -158.04 166.09 33.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 pt? -149.37 150.16 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -123.23 158.6 30.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 166' ' ' ILE . 7.2 t80 -120.2 156.84 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.486 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 0.0 OUTLIER -139.71 133.56 30.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 5.2 m -137.28 98.76 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 42.0 63.87 1.64 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -139.79 163.34 32.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 98.7 m -109.64 99.13 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -148.32 133.47 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -111.37 152.5 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.33 105.85 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 76' ' ' LYS . 12.7 t -75.67 -56.6 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.5 t -168.55 168.82 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 171' ' ' VAL . 2.8 p -150.43 113.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.1 162.44 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 174' ' ' PHE . 39.7 t -132.5 156.27 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 4' ' ' GLU . 20.9 t80 -149.67 169.47 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -147.84 175.13 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.06 145.88 48.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.82 155.01 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.03 151.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.408 HG21 ' N ' ' A' ' 7' ' ' LEU . 1.2 m -92.85 148.19 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 4.8 tp -65.72 -50.21 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.83 139.69 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 33.2 t0 -115.45 159.37 21.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' HG11 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.72 -27.43 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 11.0 ttp-105 -94.76 -46.64 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.369 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 5.3 t -57.67 -32.01 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' GLY . 12.7 p -65.33 -49.42 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' GLY . 1.1 mt-30 69.13 -58.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -51.62 -173.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.29 148.18 9.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mp -114.52 -12.64 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 89.65 24.7 29.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLY . 25.6 m-90 -41.59 126.79 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -150.78 29.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' ' CZ3' ' A' ' 28' ' ' TRP . . . -121.45 151.25 40.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.8 p 158.18 113.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.409 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.11 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.4 mm? -66.04 -43.5 87.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mt-10 163.73 137.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.97 -36.37 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -60.45 -118.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.608 ' CD2' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -64.89 134.1 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 3.8 mt-10 -145.23 154.66 42.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 125.8 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.605 ' CG1' ' NE2' ' A' ' 45' ' ' GLN . 3.7 p -135.41 135.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.1 m -96.72 125.88 41.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.82 171.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.0 ttt -82.1 139.6 34.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -111.63 -176.26 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.375 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -19.08 11.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -101.19 172.95 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.17 -65.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -55.35 131.95 69.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 160.27 40.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' A' ' 43' ' ' THR . 0.7 OUTLIER -127.59 141.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.06 129.06 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.448 ' CG2' HD12 ' A' ' 41' ' ' ILE . 3.0 p -126.09 155.33 41.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.608 ' CD1' ' CD2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -118.7 136.05 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.605 ' NE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -148.61 155.11 40.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -136.67 116.52 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 31.8 t -126.38 116.51 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.389 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -157.64 103.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 92' ' ' CYS . 2.5 t -140.5 89.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.1 ttt -118.68 -35.38 3.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.8 mt-10 165.34 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.94 127.89 11.09 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.419 1.747 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.454 ' HB3' ' CG2' ' A' ' 162' ' ' VAL . 1.2 m -73.86 105.65 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.059 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.56 149.79 29.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.78 95.58 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -88.02 118.15 27.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -80.69 125.0 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.551 HD11 ' CB ' ' A' ' 21' ' ' ALA . 38.6 tp -138.67 125.6 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.221 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 117.23 11.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -134.04 145.91 49.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.1 OUTLIER 173.51 144.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.82 37.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 107.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 64' ' ' THR . 8.3 mm -138.39 167.14 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -157.25 140.82 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -132.21 138.05 47.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 10.5 pt-20 -130.52 176.85 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.79 -87.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.5 158.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -103.38 -37.72 7.51 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 10.3 mtm-85 -107.38 150.61 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' HG22 ' A' ' 147' ' ' VAL . 12.9 m -136.6 179.22 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -142.32 132.06 24.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 145' ' ' ARG . 3.7 mp -137.54 151.97 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 73' ' ' ILE . 2.8 mt-10 -135.96 137.61 41.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.433 HG22 ' CG1' ' A' ' 171' ' ' VAL . 0.4 OUTLIER -120.37 131.29 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 142' ' ' THR . 1.2 mttt -110.08 119.26 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 167' ' ' ALA . 13.6 p90 -139.79 162.24 35.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.496 ' HB ' ' CG2' ' A' ' 137' ' ' ILE . 1.5 p -124.74 127.45 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -106.21 141.81 36.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -79.01 148.92 32.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 54.6 m-20 -73.95 121.24 20.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.52 -22.67 43.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.278 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.63 -21.91 66.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -18.43 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -65.93 119.38 60.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 73.14 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 113.6 29.24 2.97 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -40.09 -30.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 87' ' ' GLY . 9.5 mmt 62.63 -99.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.41 24.59 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -105.45 15.19 27.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.5 ' CB ' HG12 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -114.04 126.07 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.356 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 164.94 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.61 43.0 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 48.6 p -129.87 144.15 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -132.69 154.04 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -107.68 147.18 31.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD1' HD13 ' A' ' 122' ' ' ILE . 21.9 mt -108.69 143.53 37.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE1' ' N ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -144.48 161.9 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 119' ' ' ILE . 9.2 p90 -159.73 160.47 34.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -162.58 116.51 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -156.83 135.62 11.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.16 171.65 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -74.18 177.07 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -54.97 -39.34 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.3 155.4 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.07 109.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 2.3 tt0 178.12 167.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER 85.58 -43.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.52 142.45 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.0 pt -59.62 -35.07 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -63.52 -52.62 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -45.95 91.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.1 -44.01 96.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -47.28 131.12 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.377 1.048 . . . . 0.0 110.264 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -76.23 -174.91 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 100' ' ' TYR . 4.1 t -139.99 115.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.609 ' N ' ' CE1' ' A' ' 99' ' ' TYR . 11.7 tttt -66.67 134.91 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 100' ' ' TYR . 22.3 mm -86.64 -65.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.79 178.9 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.4 m -103.86 127.92 51.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.503 HD13 ' CD1' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -107.45 142.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.21 164.9 26.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -66.65 175.79 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.3 m-20 79.61 -155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 71.52 -63.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.0 81.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 125' ' ' ASP . 1.0 OUTLIER -94.32 122.98 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.9 p -128.87 118.6 22.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.57 108.06 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.31 143.56 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.66 93.15 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -97.38 148.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -119.09 -18.0 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.409 ' O ' ' HD3' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -75.99 -57.61 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER 169.46 177.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.496 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 2.5 mp 49.62 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 ttt -93.18 16.58 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -121.45 100.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 1.3 mm? -86.41 140.74 29.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.0 123.63 32.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.406 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.8 m -123.88 134.31 53.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -119.0 131.28 55.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.73 116.75 35.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' ILE . 7.5 mmm180 -114.15 141.75 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -137.13 157.13 47.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.492 HG22 ' CG2' ' A' ' 71' ' ' VAL . 1.5 t -126.81 166.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 -71.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 155' ' ' PHE . 0.1 OUTLIER 175.88 58.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -35.26 76.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -24.0 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 77.14 149.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 150' ' ' LEU . . . 63.95 135.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 155' ' ' PHE . 2.6 p90 -142.62 141.85 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -99.91 145.85 27.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.52 141.06 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.78 134.7 28.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -125.29 146.79 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.44 114.5 13.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -96.04 136.91 35.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 8.1 p -137.15 116.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 37.47 62.2 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 163.11 39.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 99.4 m -123.28 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.502 ' HB ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -136.91 143.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 45' ' ' GLN . . . -117.48 153.09 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.69 105.7 16.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 55.3 t -77.99 -56.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -167.53 167.12 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.078 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.433 ' CG1' HG22 ' A' ' 75' ' ' ILE . 5.9 m -140.99 115.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -102.65 155.38 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.59 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' TYR . 17.2 t80 -152.26 169.56 22.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -123.4 175.09 6.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -134.23 98.72 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 154.91 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.643 1.214 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.1 161.8 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -77.06 148.95 35.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.473 HD22 ' CZ ' ' A' ' 65' ' ' ARG . 2.0 tt -77.28 -60.18 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -149.84 145.89 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.45 146.39 50.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 p -84.4 -31.67 24.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -39.7 81.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -56.26 -29.49 61.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.927 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' GLN . 1.1 m -89.77 -41.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 13' ' ' VAL . 15.3 pt20 45.46 106.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.92 -142.89 14.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.34 121.69 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -102.06 -11.82 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.11 51.76 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 p-90 -66.92 149.41 50.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tt -132.18 63.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -124.84 136.89 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 t 159.13 112.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.496 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.94 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -64.23 -37.21 86.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.3 mt-10 161.46 138.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.05 -29.82 9.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.496 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -70.49 -113.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -65.12 140.29 58.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -145.67 150.1 35.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' CH2' ' A' ' 28' ' ' TRP . 39.6 mt-10 -95.9 111.01 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.49 132.32 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.4 p -97.03 126.89 42.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 171.15 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.8 134.32 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -102.8 169.77 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -54.45 -21.33 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.01 167.69 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.24 156.28 22.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 29.4 m 61.72 133.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 161.1 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -121.92 149.11 25.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 125.34 28.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.4 p -123.01 157.25 33.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -118.31 136.96 53.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -141.72 143.83 33.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 28' ' ' TRP . 13.8 p -133.42 106.69 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.09 113.34 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 108.343 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.61 103.45 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG13 ' CB ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -115.7 -12.38 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -65.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 153.94 8.14 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.9 p 39.33 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -78.15 148.48 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.17 93.68 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -101.62 121.3 41.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.438 ' CZ2' ' OG1' ' A' ' 60' ' ' THR . 18.3 t90 -78.74 116.02 18.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' CB ' ' A' ' 21' ' ' ALA . 10.1 mp -133.88 140.23 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CG ' ' HB3' ' A' ' 157' ' ' LEU . 7.6 mpt_? 66.47 131.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 157' ' ' LEU . 2.8 m -138.42 -74.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.654 ' CB ' ' CD2' ' A' ' 156' ' ' TYR . 14.2 p-10 -124.43 -165.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.455 ' HA ' ' CE3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -167.9 -157.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 108.002 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 ' O ' ' CB ' ' A' ' 155' ' ' PHE . 1.5 tt -117.02 152.16 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 t -72.42 145.68 47.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.473 ' CZ ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -127.1 164.57 21.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.51 -177.91 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.3 -161.2 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.75 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -38.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -174.27 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 147' ' ' VAL . 3.4 m -130.84 -167.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 174' ' ' PHE . 4.6 m-85 -144.6 130.33 19.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 74' ' ' GLU . 1.4 mt -122.86 148.61 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.3 pt-20 -128.13 119.95 26.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -111.42 128.31 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 118.49 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -140.44 161.75 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.461 ' CG2' HG23 ' A' ' 137' ' ' ILE . 2.3 m -120.8 146.28 46.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.448 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.3 OUTLIER -120.74 139.79 52.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.232 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.46 ' CG ' HD23 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -93.39 127.8 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.93 139.52 58.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 -21.59 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -77.99 -24.08 48.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -91.94 -16.97 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 80' ' ' ARG . 1.3 mp -75.47 115.62 47.21 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.93 79.73 0.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 12.2 p -114.35 40.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.97 -64.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.88 21.25 4.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.392 1.058 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.0 t -128.63 50.02 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.408 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.461 ' CB ' HG13 ' A' ' 49' ' ' VAL . 22.5 p -115.08 131.67 56.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.9 165.72 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -135.57 26.38 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.2 p -140.74 156.44 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.426 ' CD1' ' HZ ' ' A' ' 159' ' ' PHE . 40.5 m-85 -141.36 157.6 44.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.54 122.04 46.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -109.2 145.23 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 23.1 m-85 -144.2 165.42 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 157' ' ' LEU . 0.6 OUTLIER -127.56 170.67 12.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -155.31 149.4 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -153.3 151.76 30.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 p -150.54 151.79 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.53 174.7 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.01 -40.88 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -58.1 -62.97 1.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.72 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -90.12 -95.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -159.6 30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -72.47 144.6 48.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.0 -29.28 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -33.58 75.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -34.16 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.55 -44.47 86.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.61 118.43 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -68.97 175.87 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.0 t -114.77 110.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -73.02 134.29 44.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.93 -96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -169.02 178.23 4.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.67 134.17 41.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.463 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 143' ' ' GLU . 1.7 pt -117.12 141.32 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.8 165.87 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.532 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . . . -58.28 108.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER 167.21 -37.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 73.1 mm-40 -37.1 -44.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.97 60.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -67.56 120.9 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.7 m -123.82 144.24 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.14 107.6 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.422 HG12 ' CD2' ' A' ' 140' ' ' LEU . 5.9 p -116.66 143.57 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.5 91.85 8.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.5 tt -123.98 149.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.33 -6.14 31.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.11 -54.58 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 166.65 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 78' ' ' THR . 21.9 pt 43.7 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -30.07 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -110.57 100.95 9.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.371 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 1.2 mm? -86.3 131.72 34.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.461 ' ND2' ' CB ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -127.18 127.77 45.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 m -123.86 135.79 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 8.9 tm-20 -124.83 131.69 53.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.82 145.05 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 164.11 31.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 150.99 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.24 165.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 157.21 -49.18 0.45 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.0 118.98 5.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.16 116.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -68.24 -41.25 81.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -34.83 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 131.76 172.3 13.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.122 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -140.87 110.76 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 111.036 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.654 ' CD2' ' CB ' ' A' ' 61' ' ' ASP . 21.5 m-85 -139.32 158.88 43.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 100' ' ' TYR . 1.7 mm? -128.27 149.11 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.456 ' N ' ' HB3' ' A' ' 59' ' ' ARG . . . -142.75 134.9 27.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 160' ' ' GLN . 6.4 t80 -145.6 153.27 40.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 1.1 tp60 -139.63 121.1 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.44 131.92 53.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 13.4 m -137.08 105.82 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.434 ' C ' ' CG1' ' A' ' 49' ' ' VAL . . . 48.7 66.59 2.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -142.77 166.08 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 79.3 m -132.46 100.57 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.359 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.2 pp -144.63 153.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 45' ' ' GLN . . . -127.37 156.98 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 110.77 23.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.6 t -78.64 -55.34 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 4.5 t -169.69 167.4 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.24 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.3 161.98 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 7' ' ' LEU . 86.7 t -115.82 164.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.4 t80 -152.5 169.21 23.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -135.43 166.26 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -132.28 154.59 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.24 155.49 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -104.77 168.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.0 p -104.54 154.21 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.426 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.9 -53.81 40.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -161.93 138.08 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.16 142.62 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.44 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 10.7 p -78.2 -31.87 49.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -33.96 75.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -55.83 -35.53 66.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 17' ' ' LEU . 15.0 p -87.92 -30.97 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' GLY . 46.3 mt-30 68.35 -65.56 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -42.91 167.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.49 151.79 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 13' ' ' VAL . 4.0 mm? -115.28 -13.14 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.34 37.26 0.8 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.419 1.074 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.531 ' CE3' ' CH2' ' A' ' 28' ' ' TRP . 53.0 p-90 -65.33 127.53 32.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -134.16 63.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' CB ' HD22 ' A' ' 58' ' ' LEU . . . -138.58 154.33 48.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.4 t 160.4 112.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -157.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -64.24 -38.75 92.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mt-10 158.94 128.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.97 -45.38 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.18 -121.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE2' ' HB3' ' A' ' 44' ' ' TYR . 18.3 t90 -64.61 124.13 21.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -141.94 148.24 38.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' OE1' ' CH2' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -91.15 110.98 22.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.07 136.98 51.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.4 p -96.74 136.27 37.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.65 171.02 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.82 126.7 34.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.34 -179.31 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -20.78 59.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 169.75 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.89 -69.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 9.1 t -59.69 144.69 84.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.05 163.66 34.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 pt -120.08 132.7 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 125.23 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.405 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 2.9 p -129.8 173.43 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -118.72 136.76 53.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.48 ' HG3' ' CB ' ' A' ' 167' ' ' ALA . 0.7 OUTLIER -125.85 149.14 48.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 28' ' ' TRP . 4.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 t -175.14 101.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HA2' ' A' ' 163' ' ' GLY . 1.3 m-20 -149.51 103.28 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.54 37.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 ttt -106.97 -60.41 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 165.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 106.39 2.27 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p 53.42 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 140.59 35.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.19 86.47 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -102.57 116.34 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -113.2 126.24 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 159' ' ' PHE . 1.9 tm? -139.65 126.51 20.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 148.81 34.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -111.2 101.35 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HA ' ' CE2' ' A' ' 156' ' ' TYR . 2.3 p30 -50.69 163.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 173' ' ' VAL . 17.4 t-105 -168.91 161.55 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 107.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -120.39 151.4 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.8 p -49.68 115.97 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -130.1 142.05 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.85 166.97 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.91 171.36 44.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -171.19 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -37.85 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -137.86 146.02 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 147' ' ' VAL . 1.0 OUTLIER -131.38 -166.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' VAL . 93.6 m-85 -155.31 130.68 9.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 145' ' ' ARG . 1.3 mp -113.38 126.71 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 143' ' ' GLU . 34.4 mt-10 -107.66 118.75 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.434 ' CG2' HG21 ' A' ' 171' ' ' VAL . 2.8 mt -111.12 133.71 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.39 118.46 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.441 ' O ' ' OD1' ' A' ' 141' ' ' ASN . 39.3 p90 -140.87 162.54 35.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CG2' ' A' ' 137' ' ' ILE . 20.8 m -119.71 129.51 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.484 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -103.88 137.76 41.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -92.95 128.71 38.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.54 123.52 21.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.84 -37.75 85.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -56.98 -30.7 64.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 m -77.68 -23.24 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 135.77 94.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 60.64 5.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.472 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 122.05 71.03 0.27 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' GLY . 2.7 p -39.9 -28.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.472 ' N ' ' C ' ' A' ' 87' ' ' GLY . 0.8 OUTLIER 68.73 4.97 4.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.14 24.24 27.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.502 ' O ' ' CG2' ' A' ' 91' ' ' THR . 3.4 t -139.88 45.03 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.65 126.72 55.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 165.58 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.78 51.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -148.07 149.28 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -148.49 136.41 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.43 135.38 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.71 133.24 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 118' ' ' LYS . 17.5 m-85 -125.34 162.6 24.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.52 ' CD1' HG13 ' A' ' 119' ' ' ILE . 4.3 m-85 -128.23 169.21 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -152.51 104.88 2.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 150' ' ' LEU . 2.7 tm-20 -147.5 134.84 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -159.42 160.28 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.79 167.19 21.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.37 -38.02 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.31 113.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -67.74 97.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.63 109.92 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 65.33 155.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.279 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.78 141.03 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.6 pp -54.27 -29.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.97 -48.24 79.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.38 -51.42 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.24 -47.07 86.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 55.55 173.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -71.34 156.83 39.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.14 109.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 13.6 ptpt -60.16 145.84 45.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 100' ' ' TYR . 47.6 mm -100.88 -82.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.17 176.85 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 p -98.33 130.0 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.4 pt -116.89 144.49 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.21 167.03 24.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 116.16 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER 170.43 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 68.3 -62.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -128.84 49.81 2.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.75 121.24 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 19.5 m -142.64 140.04 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -87.36 119.48 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.39 145.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.42 152.24 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.05 152.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.36 -30.7 6.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.563 1.164 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.13 -54.09 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 176.44 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.225 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.455 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 1.4 mp 66.43 156.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.7 ttt -97.2 -35.35 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.71 97.88 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -90.41 120.34 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 141' ' ' ASN . 27.8 p30 -140.21 142.66 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.9 m -124.7 135.03 52.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 8.3 tm-20 -118.56 129.41 55.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.48 128.92 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.555 ' NE ' ' H ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -104.24 177.95 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.555 ' H ' ' NE ' ' A' ' 145' ' ' ARG . 6.7 p-10 -137.56 145.56 43.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 71' ' ' VAL . 38.5 t -150.83 142.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.19 -74.15 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -178.98 38.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.424 1.077 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.0 m -62.05 -39.43 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -58.67 -25.16 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 59.17 -170.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 58.54 84.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.579 ' CD1' ' CD2' ' A' ' 150' ' ' LEU . 46.2 p90 -141.94 171.02 14.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -138.48 123.27 18.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -101.39 136.91 40.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.02 43.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.392 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 6.7 p90 -138.42 153.95 48.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -113.37 129.27 56.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -107.08 134.91 49.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.35 116.44 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 48' ' ' ASN . . . 50.28 48.98 39.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.11 167.68 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 30.1 m -135.99 112.01 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.59 HG23 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -147.4 162.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -130.7 157.41 42.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -101.51 106.0 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 24.7 t -80.75 -54.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -173.81 177.61 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.434 HG21 ' CG2' ' A' ' 75' ' ' ILE . 55.9 t -149.46 116.82 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.185 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 161.48 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 62' ' ' TRP . 37.6 t -129.65 157.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 175' ' ' TYR . 34.0 t80 -152.56 169.44 22.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . 0.41 ' N ' ' CG ' ' A' ' 174' ' ' PHE . 4.4 p90 -142.36 173.81 11.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 137.26 49.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 27.2 mttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 109.31 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -133.16 147.13 52.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.9 t -108.64 155.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -122.85 154.37 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.1 mt -67.1 -66.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.39 165.51 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 39.1 t0 -124.16 151.43 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.478 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.2 p -68.44 -29.77 68.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -37.79 18.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 8.5 t -70.16 -25.76 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.992 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 9' ' ' ASP . 13.1 p -90.38 40.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' VAL . 29.5 mt-30 -36.58 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -52.68 -68.5 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 18' ' ' GLY . 36.9 mt-10 -60.04 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 10' ' ' SER . 4.1 mm? 76.43 -10.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 16' ' ' GLU . . . -79.19 -7.65 88.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.521 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -102.6 126.41 49.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER 174.87 -170.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -101.93 134.09 45.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.2 p -154.14 112.9 2.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.5 Cg_endo -74.91 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.3 mp -66.13 -36.82 84.15 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 1.5 mt-10 159.06 137.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.225 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.32 3.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -65.64 -97.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.488 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -64.28 123.79 20.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -118.64 142.24 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -100.4 111.38 23.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.21 137.39 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -99.26 127.91 45.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.514 ' CD1' ' C ' ' A' ' 33' ' ' ILE . 1.7 pp -131.87 171.1 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 127.46 33.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.9 -172.95 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.69 -28.8 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.84 161.01 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -59.98 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 77.1 p -60.47 144.76 88.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 156.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.34 154.38 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -78.41 124.92 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.2 p -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -116.59 136.66 52.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.63 153.6 49.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.77 149.0 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.7 t -170.1 105.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.378 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.65 104.42 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.9 7.01 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -2.04 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -161.78 116.06 1.25 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.4 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.597 1.841 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 p 84.94 5.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.68 137.54 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -157.31 58.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.19 124.91 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.7 t90 -86.07 114.93 23.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 107.946 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -115.96 128.33 55.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -115.85 116.29 27.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -110.94 150.74 28.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.21 169.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.92 -64.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 64' ' ' THR . 5.9 mt -125.13 158.55 33.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.566 HG21 ' CZ ' ' A' ' 155' ' ' PHE . 24.4 m -124.28 143.94 50.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -99.1 162.69 12.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.37 164.08 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.87 -143.24 6.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.43 -174.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.58 90.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -139.33 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -126.16 -161.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.574 ' HB3' ' CE2' ' A' ' 174' ' ' PHE . 0.2 OUTLIER -150.1 129.16 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 144' ' ' ILE . 7.0 mt -114.08 136.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -121.54 109.85 15.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.78 128.79 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -112.01 119.86 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CD1' ' OD1' ' A' ' 141' ' ' ASN . 42.2 p90 -140.3 161.65 37.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 167' ' ' ALA . 16.6 m -123.78 128.59 49.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -103.36 146.75 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -91.18 158.68 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.46 123.54 29.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.8 t -81.42 -12.59 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.55 -25.72 52.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -79.59 -19.88 48.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' CB ' ' CD ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -72.08 176.19 2.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.96 76.74 3.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' MET . . . 48.75 42.34 28.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.563 ' O ' ' CB ' ' A' ' 89' ' ' MET . 1.5 t 67.82 -63.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.563 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 86.01 -36.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.99 -26.57 7.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -84.36 19.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 126.95 47.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 156.3 26.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.78 35.93 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.3 p -147.18 148.06 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 166' ' ' ILE . 0.1 OUTLIER -114.25 169.09 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -125.38 124.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' CD1' ' CD2' ' A' ' 159' ' ' PHE . 2.7 mp -109.71 135.47 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -133.31 170.31 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 p90 -153.31 166.29 33.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -160.93 119.83 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -97.02 156.13 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.57 153.86 20.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.117 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 170.8 8.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -55.88 -34.32 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.21 125.55 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.05 110.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.63 173.28 14.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 153.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -77.92 143.91 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.25 -41.79 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -45.77 91.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -55.45 -47.87 75.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -57.85 -45.78 85.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.54 131.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 22.7 m-85 -62.58 160.38 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 100' ' ' TYR . 12.1 t -124.31 101.04 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -70.82 126.09 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 145' ' ' ARG . 32.4 mt -65.7 -73.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.17 178.24 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 4.5 m -99.46 125.82 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.0 pt -112.46 140.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.42 165.95 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 100.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.569 ' HA ' ' CD1' ' A' ' 128' ' ' PHE . 0.3 OUTLIER 167.15 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 69.03 -60.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 125' ' ' ASP . 3.7 m -137.39 44.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 125' ' ' ASP . 3.9 p90 -100.1 125.42 46.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -112.59 136.26 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -89.54 108.63 19.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 p -114.12 142.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -89.92 93.47 9.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -121.69 160.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.68 10.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 2.8 p-10 -79.6 -47.68 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 7.0 mtt85 162.21 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.1 pt -62.34 91.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -94.4 -12.44 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.76 104.44 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.2 mp -82.68 134.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.599 ' OD1' ' CD1' ' A' ' 77' ' ' PHE . 1.9 m120 -128.58 124.78 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.36 123.55 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.45 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.6 131.31 35.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.294 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 79.2 mt -109.62 137.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.449 ' CG ' HG22 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -119.98 174.07 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.07 150.47 51.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' VAL . . . . . 0.569 HG12 ' CZ ' ' A' ' 155' ' ' PHE . 0.4 OUTLIER -158.37 163.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -135.42 147.16 19.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.568 1.168 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.54 39.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.38 176.11 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.185 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.15 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.18 137.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 119.96 75.57 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 147' ' ' VAL . 7.3 p90 -124.59 168.23 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -153.38 172.64 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -126.46 150.83 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 58' ' ' LEU . . . -135.11 158.42 44.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.57 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-85 -119.75 161.18 21.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.38 115.27 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -97.12 119.17 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 8.6 p -133.61 117.66 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 39.87 57.39 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.5 156.88 41.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 57.6 m -121.18 107.37 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.581 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -143.25 151.82 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -120.02 152.26 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.48 105.02 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.7 t -76.84 -58.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 162.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 45.7 t -149.37 116.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -118.26 162.12 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -135.35 132.53 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 72' ' ' TYR . 3.4 p90 -154.15 168.97 24.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 175' ' ' TYR . 9.0 p90 -120.0 159.43 24.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -129.94 151.19 50.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -69.14 -50.7 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.753 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -126.71 -64.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.98 155.36 47.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.48 153.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -83.74 154.06 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 64' ' ' THR . 0.7 OUTLIER -69.64 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 1.2 tm? -165.37 141.45 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 35.0 t0 -124.8 148.99 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 p -68.24 -31.12 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -81.55 -35.65 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 47.5 t -64.78 -29.83 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.24 -46.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.0 -61.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.21 171.78 2.01 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 16.2 pt-20 -57.64 155.06 10.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.39 -16.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.0 28.05 3.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.594 ' CZ2' ' OH ' ' A' ' 44' ' ' TYR . 1.1 m-90 -52.56 148.15 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -160.77 35.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.24 155.07 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p 158.67 155.77 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -166.28 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -67.51 -43.03 81.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mt-10 165.79 151.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.53 -33.12 5.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.9 -115.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CE3' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.7 138.83 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.0 150.32 36.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.29 111.89 24.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 ' CG2' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.44 137.27 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -91.93 131.49 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -128.87 168.78 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 38' ' ' ASN . 24.7 tpp -83.12 135.81 34.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.11 -173.94 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.16 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -100.81 163.13 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 2.5 t-20 -65.1 -51.4 61.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -63.18 133.03 95.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.09 41.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pt -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -81.64 124.86 29.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -130.49 -178.13 4.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.594 ' OH ' ' CZ2' ' A' ' 19' ' ' TRP . 2.3 m-85 -140.44 136.32 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' CG2' ' A' ' 31' ' ' VAL . 4.9 mt-30 -131.54 136.54 47.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 46' ' ' VAL . 15.0 p -136.47 110.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -133.05 121.08 22.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.63 103.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 1.3 p -125.81 59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -1.3 11.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.94 108.9 0.22 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.02 122.24 7.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER 155.87 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.94 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -54.15 129.99 36.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -116.19 73.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.25 116.6 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -102.04 119.7 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 HD22 ' CE3' ' A' ' 28' ' ' TRP . 1.5 mm? -129.81 137.24 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.94 147.36 41.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.453 ' OG1' ' CE2' ' A' ' 159' ' ' PHE . 17.5 m -128.09 126.66 41.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.21 -179.74 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 76.5 61.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.609 ' O ' ' CD1' ' A' ' 155' ' ' PHE . 5.1 tt -148.18 156.62 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.526 ' HA ' ' CG ' ' A' ' 155' ' ' PHE . 1.0 OUTLIER -155.61 143.81 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 162.14 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.33 179.67 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.33 -51.06 61.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.11 143.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -43.58 -37.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 175.11 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 146' ' ' ASP . 0.6 OUTLIER -128.82 170.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -108.56 129.38 55.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.39 140.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -125.15 119.96 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.459 ' CG2' HG22 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -109.71 134.03 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -116.36 119.71 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -138.78 161.02 38.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 167' ' ' ALA . 1.8 m -133.24 126.92 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.53 159.7 28.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -88.9 110.58 21.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -57.32 124.78 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.82 -19.73 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.351 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -26.27 61.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -91.1 -16.21 28.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.29 114.28 52.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.12 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.71 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.065 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 89' ' ' MET . 4.1 p -68.02 -50.12 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 161.46 -47.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.961 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.2 27.73 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 91' ' ' THR . 2.2 t -143.45 42.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.77 135.8 53.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 131.38 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -107.08 42.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -154.58 156.38 36.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -129.58 168.41 16.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 87.0 m-20 -128.51 127.69 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.495 ' CD2' ' CD1' ' A' ' 122' ' ' ILE . 0.2 OUTLIER -112.05 134.7 53.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.506 ' CE2' ' HB3' ' A' ' 118' ' ' LYS . 83.2 m-85 -129.8 169.98 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.566 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.9 p90 -138.48 164.6 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.08 14.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -125.26 153.86 42.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -166.45 170.18 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.34 167.9 13.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.0 -41.0 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.57 96.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.83 -63.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 110' ' ' PHE . 3.9 tt0 -173.77 157.84 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 77.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 108' ' ' GLU . 45.2 m-85 -76.8 144.06 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.2 mm -59.61 -34.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -65.35 -43.58 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -69.92 -52.3 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.02 -44.91 71.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -42.17 107.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -61.95 173.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 37.2 t -151.02 127.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 21.8 pttt -66.68 148.63 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mm -94.43 -62.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.45 171.63 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 m -93.24 128.78 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 98' ' ' LEU . 6.5 pt -117.15 139.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.78 166.54 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -57.69 172.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.8 t0 80.51 -155.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 70.99 -62.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -139.87 59.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 128' ' ' PHE . 55.9 p90 -88.14 125.05 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 140' ' ' LEU . 28.9 m -109.7 143.77 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.84 115.21 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -121.82 143.15 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.63 93.02 8.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.9 tt -121.67 160.85 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.39 10.0 10.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 3.5 t0 -80.04 -53.38 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.808 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 138' ' ' MET . 5.4 mtt-85 164.44 -53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.3 mt -48.51 96.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 15.7 ttt -94.41 -31.36 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -122.65 100.97 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.447 ' CD2' ' HB ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -86.31 140.65 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -122.81 126.3 47.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.5 m -116.76 129.73 56.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -126.74 131.38 51.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.91 122.97 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -138.64 165.01 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 71' ' ' VAL . 1.6 p30 -136.06 160.9 37.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 142.36 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 149' ' ' PRO . . . 174.08 61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -74.98 -79.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.9 119.69 9.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -33.87 70.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 153' ' ' LYS . 3.1 ptmt -54.32 -49.11 70.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 152' ' ' LYS . 0.8 OUTLIER 164.77 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 107.88 108.48 3.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -142.06 109.65 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 155' ' ' PHE . 5.7 m-85 -160.79 128.46 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.2 151.09 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.49 136.22 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.453 ' CE2' ' OG1' ' A' ' 60' ' ' THR . 10.1 m-85 -118.27 143.28 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.22 123.73 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -119.92 136.01 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 6.7 m -136.92 109.96 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 41.08 60.0 2.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -149.09 148.38 29.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 89.5 m -104.08 105.71 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.416 ' CD1' ' C ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -146.12 146.18 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.42 155.1 46.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -92.59 127.93 38.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.409 ' O ' ' OG ' ' A' ' 170' ' ' SER . 45.3 t -95.93 -50.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 169' ' ' VAL . 0.7 OUTLIER -171.74 168.3 6.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.459 HG22 ' CG2' ' A' ' 75' ' ' ILE . 7.9 p -150.32 137.43 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -144.83 147.84 33.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 62.6 t -122.4 145.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CZ ' ' O ' ' A' ' 175' ' ' TYR . 51.1 t80 -152.17 151.58 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . 0.412 ' O ' ' CZ ' ' A' ' 174' ' ' PHE . 26.8 p90 -103.36 147.14 27.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 155.82 49.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -110.09 98.44 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.496 ' N ' ' CD ' ' A' ' 179' ' ' PRO . . . -68.1 -53.19 20.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.03 101.13 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 182' ' ' VAL . 3.8 pp -86.17 162.36 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 13.5 t -65.87 117.03 7.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 180' ' ' LEU . 48.9 t -134.57 108.46 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -44.74 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.604 0.826 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -72.77 -68.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.56 154.86 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.224 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -103.62 153.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.6 p -85.7 133.42 34.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.5 tm? -88.33 -47.27 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.74 120.02 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 42.2 m-20 -122.57 148.36 45.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -31.83 70.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -82.53 -40.97 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.62 -11.37 60.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 9' ' ' ASP . 2.6 t -65.01 -64.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 30.9 mt-30 81.79 -45.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -59.61 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -65.94 -164.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER 170.85 -26.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.61 -19.4 3.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.609 ' CE3' ' HB3' ' A' ' 58' ' ' LEU . 9.6 m0 67.65 155.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.98 29.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 58' ' ' LEU . . . -140.24 128.56 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.39 154.35 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.23 -43.37 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 170.11 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -36.46 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.38 -101.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.588 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -68.03 133.14 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.71 150.0 41.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -96.29 121.83 38.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' CG ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.03 137.88 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 p -100.0 126.84 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 33' ' ' ILE . 1.8 pp -136.61 169.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 127.6 34.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -173.43 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.2 -22.15 66.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -100.69 167.91 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.36 162.75 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.3 m 62.63 127.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 157.64 42.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.409 1.742 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.67 153.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -76.77 125.57 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 2.5 p -126.41 165.74 18.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 38.7 m-85 -127.57 137.07 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -139.99 142.4 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.23 107.62 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.1 m -128.06 128.16 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -173.38 104.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.9 151.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.229 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 ttt 178.24 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.33 156.41 31.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 1.3 p 171.75 104.53 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 0.0 110.057 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CD ' ' OE1' ' A' ' 160' ' ' GLN . 14.6 pt20 -56.28 151.76 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 53' ' ' SER . 9.5 m-80 -151.02 -43.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -70.86 115.42 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.415 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 23.5 t90 -125.8 143.22 51.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.657 1.223 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HB3' ' CE3' ' A' ' 19' ' ' TRP . 1.4 mm? -141.64 138.33 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.48 143.7 24.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 60' ' ' THR . 8.5 t -133.99 101.26 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 156' ' ' TYR . 4.8 t0 -134.1 115.22 14.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER 165.49 44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 108.063 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.26 150.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 153' ' ' LYS . 5.8 p -144.77 113.55 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.0 165.94 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -127.7 150.9 49.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.51 -144.74 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.52 -53.37 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -176.13 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -134.42 148.28 50.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.587 ' HB ' ' CD1' ' A' ' 175' ' ' TYR . 0.7 OUTLIER -132.88 -172.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.378 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.696 ' CB ' ' CZ ' ' A' ' 174' ' ' PHE . 20.3 m-85 -134.3 130.04 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG13 ' CG1' ' A' ' 173' ' ' VAL . 1.0 OUTLIER -123.71 127.82 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -109.75 109.09 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' CG2' HG11 ' A' ' 171' ' ' VAL . 2.9 mt -101.37 134.32 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 118.7 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.409 ' CE1' ' HE2' ' A' ' 96' ' ' PHE . 34.0 p90 -140.19 154.38 46.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 167' ' ' ALA . 23.4 m -125.95 125.22 42.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.9 156.0 29.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -81.91 134.66 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -76.88 147.27 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.78 -20.45 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 108.278 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -84.75 -17.66 37.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.17 123.52 88.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.06 3.21 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.84 70.1 1.12 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.609 1.193 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' GLY . 10.5 p -86.98 62.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt 66.58 -62.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.29 27.43 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -124.7 32.62 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.469 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -114.75 133.72 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 164.1 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 95' ' ' THR . 2.2 mt-10 -138.81 67.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 94' ' ' GLU . 5.7 p -159.17 137.77 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CZ ' ' HB ' ' A' ' 166' ' ' ILE . 1.3 m-85 -120.62 169.5 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.9 m-80 -127.17 136.24 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 122' ' ' ILE . 6.6 mt -108.41 128.27 54.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 97.5 m-85 -128.22 153.11 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' HG13 ' A' ' 119' ' ' ILE . 16.6 m-85 -140.26 159.57 41.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 101' ' ' TYR . 4.9 p90 -161.13 141.91 11.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' OE2' ' CD2' ' A' ' 150' ' ' LEU . 2.6 mt-10 -129.6 140.84 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 152' ' ' LYS . 8.0 t -87.6 141.15 28.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.53 176.43 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.07 -40.61 78.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.16 -166.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 108' ' ' GLU . 0.2 OUTLIER 61.7 -171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 84.6 111.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.73 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.28 141.68 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.27 -38.1 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -45.14 95.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -44.6 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -55.97 -37.31 68.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -41.86 134.07 2.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.91 167.3 13.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.81 121.81 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -73.04 130.84 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 100' ' ' TYR . 26.3 mm -89.5 -75.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.65 177.31 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.8 m -96.71 130.28 43.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.478 HD12 ' CD1' ' A' ' 98' ' ' LEU . 3.4 pt -116.09 140.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -146.32 166.43 26.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.42 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -57.93 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -178.57 -167.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -60.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.28 75.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 36.6 p90 -100.2 121.55 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.9 p -125.58 108.4 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -82.46 108.17 15.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.77 143.06 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.18 93.59 6.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.1 tt -121.63 160.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.97 13.25 7.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 136' ' ' ARG . 8.1 p-10 -79.87 -50.3 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER 163.33 -51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.3 mt -60.95 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -91.03 -30.29 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 101.92 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.409 ' C ' ' OD1' ' A' ' 141' ' ' ASN . 6.4 tt -85.52 126.45 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.4 OUTLIER -127.59 128.84 46.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 m -119.05 136.15 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -125.63 130.84 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 61.0 mt -104.5 132.0 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -130.49 162.15 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.99 141.44 51.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -153.36 165.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.44 168.31 12.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -37.24 2.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.533 1.807 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.4 ' CD2' ' OE2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER 77.47 152.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 m -63.1 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 103' ' ' SER . 3.7 tptt -62.95 -26.81 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.48 ' O ' ' CG2' ' A' ' 64' ' ' THR . 1.5 mtpt 77.2 49.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -142.74 132.38 5.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 11.9 p90 -142.68 109.7 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -129.17 151.19 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 100' ' ' TYR . 1.5 pt? -135.53 145.96 47.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.07 144.52 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.424 ' CE2' ' CB ' ' A' ' 58' ' ' LEU . 38.9 p90 -131.07 159.3 37.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.408 ' OE1' ' CD ' ' A' ' 54' ' ' GLN . 3.0 tt0 -137.71 127.41 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.482 ' OD2' ' CG2' ' A' ' 166' ' ' ILE . 0.8 OUTLIER -90.86 113.21 25.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 163' ' ' GLY . 14.0 p -77.42 95.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 33.81 53.01 0.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.385 1.053 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . 0.405 ' O ' ' OD2' ' A' ' 161' ' ' ASP . . . -133.5 165.23 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.65 119.87 39.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 108.353 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -147.9 141.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -123.21 157.26 33.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.92 113.74 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 33.5 t -85.71 -55.44 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.4 t -168.47 163.36 12.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.066 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.483 HG11 ' CG2' ' A' ' 75' ' ' ILE . 28.9 m -150.59 104.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.89 146.66 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 73' ' ' ILE . 21.2 t -123.49 135.14 64.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.696 ' CZ ' ' CB ' ' A' ' 72' ' ' TYR . 4.6 p90 -153.06 149.53 28.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . 0.587 ' CD1' ' HB ' ' A' ' 71' ' ' VAL . 4.4 m-30 -99.8 156.15 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -136.93 151.27 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 130.65 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.483 ' N ' ' CD ' ' A' ' 179' ' ' PRO . . . -42.98 -53.46 10.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -74.98 95.47 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.81 148.66 27.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 15.6 m -117.13 129.66 56.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.04 149.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ASN . 3.3 t -88.99 -43.66 10.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.76 . . . . 0.0 109.999 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.3 t-20 -40.52 -62.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.74 145.43 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.228 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.04 167.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -78.24 135.45 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.88 -53.6 44.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' HB ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -166.37 135.17 2.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' OD1' ' CG ' ' A' ' 172' ' ' ARG . 1.2 m-20 -122.63 160.31 26.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -62.4 -27.65 69.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -97.7 -40.83 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t -67.18 -17.58 64.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 10' ' ' SER . 7.6 p -63.3 -58.85 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 1.4 mt-30 84.61 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -58.65 -125.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 22.1 mt-10 -61.29 -138.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.4 tp 97.43 -9.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' CD1' ' A' ' 19' ' ' TRP . . . -69.48 0.0 21.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 95.99 150.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -121.21 -40.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' O ' ' CE3' ' A' ' 19' ' ' TRP . . . -130.8 -145.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER 79.33 157.75 0.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -74.96 164.6 33.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -69.52 -43.76 72.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.7 mt-10 -151.38 159.67 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.99 -34.61 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.14 -109.87 3.43 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -67.16 140.18 57.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -144.68 150.91 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.53 119.66 37.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.588 ' CG2' ' NE2' ' A' ' 45' ' ' GLN . 13.4 m -133.74 127.54 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.5 m -89.56 126.58 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.9 171.9 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.17 134.83 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -177.37 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.08 -34.95 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -87.39 162.98 17.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.1 172.97 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 12.3 m 61.5 133.58 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 158.35 42.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.054 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.52 154.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -88.01 124.79 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 p -129.54 152.41 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.436 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.415 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 4.0 m-85 -118.84 135.93 54.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.588 ' NE2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.75 153.17 43.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 46' ' ' VAL . 6.4 p -137.14 118.16 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.26 122.57 22.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -162.34 104.47 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -138.02 84.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.3 mtp -140.47 -97.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 1.3 mt-10 -85.28 -59.34 0.32 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -75.01 148.68 35.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 p -80.08 -90.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 162' ' ' VAL . 0.8 OUTLIER -52.95 147.99 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.703 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.9 OUTLIER -96.05 -49.06 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER 170.09 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.453 ' CD1' ' OE1' ' A' ' 160' ' ' GLN . 20.3 t90 -96.21 137.24 35.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 22' ' ' SER . 1.5 mt -136.8 144.49 43.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' HA ' ' CB ' ' A' ' 158' ' ' ALA . 3.0 ptp180 -135.68 157.28 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -130.76 93.99 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' HA ' ' CB ' ' A' ' 156' ' ' TYR . 1.3 p-10 -85.96 -175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 70.42 54.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 108.041 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 156' ' ' TYR . 1.8 tt -148.62 140.93 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.68 131.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.32 158.05 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.23 151.6 51.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.84 -159.28 9.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.34 55.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.15 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 150.93 49.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.478 ' CG2' HG11 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -132.67 -169.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -139.95 130.39 25.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.89 127.88 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 115.6 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 mt -101.0 130.79 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.04 119.46 39.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 141' ' ' ASN . 24.6 p90 -140.45 161.12 38.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -126.94 127.63 45.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 HD22 ' CA ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -107.79 143.5 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -88.89 147.0 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -80.67 124.55 29.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -30.12 50.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 108.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -21.92 66.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -93.88 -14.46 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 137.34 89.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.07 74.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 89' ' ' MET . 8.5 p -64.14 -43.31 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.43 ' N ' HG12 ' A' ' 88' ' ' VAL . 0.4 OUTLIER 74.65 -1.97 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.8 23.53 37.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 91' ' ' THR . 2.7 t -139.24 39.22 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 16.9 p -115.09 148.8 38.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.63 164.96 11.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.458 ' C ' ' CG2' ' A' ' 95' ' ' THR . 1.1 pt-20 -149.41 46.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.458 ' CG2' ' C ' ' A' ' 94' ' ' GLU . 6.7 p -150.62 168.14 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.628 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -143.41 151.89 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -103.2 138.59 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.658 ' CD1' ' CE1' ' A' ' 159' ' ' PHE . 0.7 OUTLIER -109.47 137.72 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -137.01 170.6 15.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.548 ' CD1' HD12 ' A' ' 119' ' ' ILE . 38.9 p90 -150.3 162.33 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -152.8 124.7 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 155' ' ' PHE . 0.4 OUTLIER -126.37 151.82 47.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 t -148.7 165.54 31.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -102.08 172.99 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.306 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 3.1 m120 -57.21 -42.08 80.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER 162.35 131.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.34 -93.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 110' ' ' PHE . 3.3 pm0 -116.62 -33.39 4.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.64 88.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 108' ' ' GLU . 59.7 m-85 -71.35 143.95 50.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.53 -40.25 73.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -67.62 -51.24 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.06 -44.78 71.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -33.8 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.54 140.67 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -61.87 157.85 17.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 100' ' ' TYR . 17.2 t -139.97 119.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -83.51 142.59 30.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.548 HD12 ' CD1' ' A' ' 100' ' ' TYR . 33.1 mm -84.64 -72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -169.04 178.25 4.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.4 m -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -114.61 143.36 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.59 164.82 29.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.85 92.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER 175.0 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 69.86 -60.94 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.8 OUTLIER -137.16 108.16 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 29.1 p90 -123.33 123.19 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.8 m -108.6 142.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.15 108.78 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.55 143.04 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.73 93.45 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.467 ' CG2' ' OD1' ' A' ' 135' ' ' ASP . 5.6 tt -121.91 160.24 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -128.04 19.53 5.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.467 ' OD1' ' CG2' ' A' ' 133' ' ' ILE . 27.6 p-10 -80.4 -50.98 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.7 -77.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 137' ' ' ILE . 5.0 tp -76.8 108.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -92.74 4.24 54.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 101.48 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.63 133.36 34.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -97.76 124.46 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.14 123.82 41.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 13.9 mm-40 -115.92 129.84 56.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 68.0 mt -103.07 133.53 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 176.2 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -136.46 141.3 43.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.483 HG21 ' CE1' ' A' ' 155' ' ' PHE . 0.3 OUTLIER -158.18 166.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.562 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 147.63 -47.51 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.0 Cg_endo -74.98 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -178.26 104.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 59.3 p -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -29.75 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 -159.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 39.21 67.74 0.56 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 147' ' ' VAL . 7.3 p90 -132.92 167.94 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 8.0 p90 -135.57 -178.72 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.647 ' CD1' ' CE2' ' A' ' 159' ' ' PHE . 1.2 pp -130.55 151.35 51.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 59' ' ' ARG . . . -134.52 158.29 44.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' A' ' 98' ' ' LEU . 96.3 m-85 -121.66 154.23 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.453 ' OE1' ' CD1' ' A' ' 57' ' ' TRP . 0.8 OUTLIER -134.7 129.61 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.05 102.43 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.629 ' CG1' ' O ' ' A' ' 162' ' ' VAL . 1.1 p -99.36 95.23 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 47.31 47.18 21.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.73 164.65 28.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 76.0 m -121.13 100.39 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.419 ' CD1' ' C ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -133.61 152.83 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -124.36 155.99 37.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.5 mt -107.8 105.88 15.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.87 -56.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.1 t -174.37 173.15 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 171' ' ' VAL . 5.4 p -148.01 103.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.433 ' CG ' ' OD1' ' A' ' 9' ' ' ASP . 7.0 tmm_? -101.84 146.13 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 72.3 t -107.18 154.07 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.416 ' CD1' ' NH1' ' A' ' 172' ' ' ARG . 1.5 t80 -152.66 163.1 40.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 176' ' ' LYS . 13.4 t80 -144.5 158.54 43.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 175' ' ' TYR . 1.3 tppt? -134.02 146.08 50.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -66.65 138.11 57.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.396 1.06 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.466 ' CB ' ' HD3' ' A' ' 179' ' ' PRO . . . -61.11 -54.58 52.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 178' ' ' ALA . 18.1 Cg_endo -75.04 65.9 6.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.31 117.22 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 m -104.55 122.25 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 53.4 t -132.42 105.18 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.99 88.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.052 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 64.57 169.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -89.16 153.35 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.62 159.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -83.04 135.25 34.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.92 -69.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.51 120.18 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -123.53 146.99 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -80.77 -31.13 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -80.14 -45.23 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -57.83 -31.32 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 14' ' ' GLN . 10.3 p -85.55 -47.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER 73.2 -56.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -54.57 -163.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -53.8 163.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.55 -15.16 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 113.1 31.41 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.3 p-90 -41.36 130.12 2.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.26 -56.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -102.27 -179.66 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 p 157.56 148.7 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.437 ' HD3' ' ND2' ' A' ' 56' ' ' ASN . 18.2 Cg_endo -75.03 -178.45 4.18 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -67.8 -44.1 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mt-10 162.28 163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.21 -31.51 6.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.51 -89.95 1.32 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.1 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -138.45 144.52 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.43 117.41 34.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.578 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -134.15 137.37 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.6 p -89.68 126.95 35.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 33' ' ' ILE . 1.8 pp -130.51 171.66 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.39 127.61 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.21 -172.31 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.76 -31.98 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -96.68 166.51 11.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.12 -64.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -52.13 118.34 12.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.41 42.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.16 150.85 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -78.52 125.47 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -116.63 -170.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -141.09 138.67 33.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 20.4 mp0 -125.91 134.11 51.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 46' ' ' VAL . 14.4 p -137.65 108.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 23.0 t -130.77 129.12 42.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 171.43 103.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 51' ' ' GLU . 23.8 m -102.06 -22.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -26.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -81.31 176.62 3.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' SER . 18.0 Cg_endo -75.06 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' PRO . 14.0 p -30.31 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 160' ' ' GLN . 11.1 mt-30 -85.99 151.22 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -118.25 -38.44 3.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' H ' ' A' ' 57' ' ' TRP . 4.8 t-20 -147.86 149.91 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.378 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.442 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 21.8 t90 -119.73 134.43 55.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 108.03 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 159' ' ' PHE . 1.8 tp -138.92 139.93 38.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 162.15 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.75 143.77 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.0 OUTLIER 174.94 -177.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.75 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 64' ' ' THR . 89.1 mt -141.37 138.62 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.413 ' N ' HG21 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -59.57 144.84 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -131.18 155.23 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.228 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.84 152.51 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -142.98 -179.07 19.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.27 71.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.465 ' HA ' ' CD ' ' A' ' 149' ' ' PRO . 4.0 tt0 -171.02 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -138.73 146.29 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 m -133.59 -173.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 174' ' ' PHE . 5.4 m-85 -139.1 130.62 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.79 127.76 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -114.55 118.08 32.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -107.82 151.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 3.8 mttt -131.44 119.89 22.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 75' ' ' ILE . 11.1 m-85 -139.39 161.25 37.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -136.9 127.17 26.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.64 163.04 26.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -86.18 138.47 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.1 127.4 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.11 -26.85 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.51 -24.85 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -92.85 -11.57 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.9 116.39 51.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.7 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.91 57.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 89' ' ' MET . 0.9 OUTLIER -45.69 -51.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.544 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 5.0 ttt 84.51 -42.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.72 -24.4 13.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 t -84.17 21.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.3 126.96 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER -103.73 166.79 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.63 35.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.428 HG21 ' CB ' ' A' ' 123' ' ' ALA . 62.0 p -152.1 162.0 41.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 166' ' ' ILE . 31.6 m-85 -129.3 164.96 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 62.4 m-80 -129.29 119.63 24.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 140.37 39.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.247 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 97' ' ' ASN . 50.4 m-85 -136.37 160.31 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.8 p90 -135.55 167.39 21.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -160.02 115.28 2.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.02 135.21 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.6 t -165.72 170.1 14.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -85.39 -179.72 7.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.31 -40.42 93.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.65 141.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -57.06 171.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -88.56 170.66 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -161.76 -60.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -70.67 142.65 51.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.1 pt -78.04 -31.07 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.197 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -66.73 -43.03 85.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.72 64.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -57.08 -45.66 83.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.61 113.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -76.15 165.33 25.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 40.4 t -120.46 124.54 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -56.59 140.34 46.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.3 mm -82.91 -67.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.01 160.97 10.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 m -90.96 123.08 34.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 4.0 pt -115.7 144.52 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.428 ' CB ' HG21 ' A' ' 95' ' ' THR . . . -148.01 165.47 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.96 93.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.6 OUTLIER 174.64 -164.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 3.9 tt0 67.97 -61.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.5 OUTLIER -117.34 95.17 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 28.5 p90 -118.9 122.91 43.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 66.2 p -132.54 122.42 24.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.82 110.24 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.0 143.12 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.56 96.07 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.22 153.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.39 -32.19 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.3 -54.6 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.391 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 172.51 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.1 mt 74.7 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.77 -23.56 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -112.1 103.43 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 1.6 mm? -85.02 117.48 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.5 OUTLIER -111.54 125.15 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.4 m -122.76 132.78 54.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.085 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.21 131.11 41.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 145' ' ' ARG . 45.1 mt -101.97 144.27 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 144' ' ' ILE . 0.3 OUTLIER -134.75 171.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.25 142.72 44.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.83 152.63 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.26 169.96 16.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.465 ' CD ' ' HA ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.12 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.07 140.28 17.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.1 p -62.04 -40.33 95.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.0 -36.03 79.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 65.83 120.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 144.37 76.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.486 ' CD2' HD22 ' A' ' 157' ' ' LEU . 6.3 p90 -93.17 130.58 38.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.54 140.67 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 155' ' ' PHE . 1.9 mm? -105.93 141.45 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.71 134.7 28.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 p90 -145.58 145.1 30.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 54' ' ' GLN . 17.1 tt0 -130.17 138.66 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.55 119.15 32.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 163' ' ' GLY . 0.7 OUTLIER -80.77 84.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 29.07 65.94 0.1 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -136.36 164.53 27.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 84.6 m -103.8 99.91 9.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.476 HG21 ' CE1' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -141.42 151.52 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -129.32 153.35 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.58 HD13 ' CE1' ' A' ' 77' ' ' PHE . 2.2 mm? -87.37 115.8 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.437 ' HB ' ' C ' ' A' ' 76' ' ' LYS . 43.1 t -85.32 -55.92 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' SER . . . . . 0.401 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 1.4 t -166.31 164.8 17.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 171' ' ' VAL . 2.3 m -150.24 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -112.39 161.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 91.9 t -145.35 139.2 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 174' ' ' PHE . 1.2 p90 -152.76 169.04 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -125.0 150.27 46.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.28 121.18 17.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 97.99 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 179' ' ' PRO . . . -75.04 -54.65 2.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -75.0 148.72 35.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.56 1.821 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 163.88 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 9.5 t -104.47 114.15 28.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.18 149.85 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 m -67.46 -50.96 56.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -64.89 154.02 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 151.28 23.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -102.59 158.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -75.92 139.56 41.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 174' ' ' PHE . 4.3 mm? -70.64 -58.87 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.74 115.22 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.379 1.049 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -110.74 151.2 28.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.9 m -90.66 -31.16 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.51 -45.4 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -56.5 -33.16 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 m -89.83 -40.16 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 75.47 -56.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.14 171.97 5.99 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -57.65 157.52 7.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.5 -14.6 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 35.36 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' ALA . 2.2 p-90 -75.16 133.39 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 4.7 mt -134.93 57.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' A' ' 58' ' ' LEU . . . -138.49 135.87 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 p 179.89 136.55 0.28 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.3 mm? -76.09 -41.24 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.6 mt-10 163.35 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.37 26.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' HG12 ' A' ' 46' ' ' VAL . . . -126.28 -115.09 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CE3' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -64.15 122.64 17.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -124.58 145.61 49.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.12 115.04 28.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -132.79 127.36 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -86.13 137.33 32.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pp -120.47 170.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 ttp -87.04 127.63 35.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -107.51 179.57 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -21.61 24.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.19 169.55 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -65.29 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -48.68 115.71 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 156.61 43.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.67 153.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 16' ' ' GLU . 7.8 ptp180 -87.05 125.28 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -122.82 163.82 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -117.59 137.18 52.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.56 144.87 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.86 150.08 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -164.05 105.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.56 104.13 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.5 125.63 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.383 1.052 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -173.34 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 179.2 -58.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 p -111.4 94.9 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 161' ' ' ASP . 24.1 mt-30 -85.03 131.11 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.8 87.31 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.217 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -65.84 122.32 17.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.405 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.1 t90 -74.75 123.24 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.574 HD22 ' CE3' ' A' ' 28' ' ' TRP . 1.2 mm? -131.51 131.59 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' NH2' ' CE2' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -110.06 151.1 27.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -131.83 164.35 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' THR . 3.1 t70 82.37 162.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -142.62 -60.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 HD11 ' N ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -113.93 137.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.422 ' N ' HD11 ' A' ' 63' ' ' ILE . 58.8 m -76.43 145.42 39.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -115.29 160.03 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.24 172.96 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.83 166.55 27.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.0 -90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -116.36 -37.58 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 176' ' ' LYS . 0.0 OUTLIER -136.6 155.45 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 147' ' ' VAL . 1.6 m -132.18 -177.78 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -121.99 130.8 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER -135.74 143.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -134.9 150.43 50.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.13 139.2 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.75 118.01 32.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -140.74 159.36 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 167' ' ' ALA . 6.0 p -130.68 125.32 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -125.09 153.53 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.369 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -84.51 127.84 34.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.22 123.75 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.29 -21.62 63.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -87.04 -20.98 26.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 159.43 79.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.443 1.76 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 88' ' ' VAL . . . -66.21 -48.69 62.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.521 ' CB ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER 87.29 -20.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.15 -58.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.07 28.09 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 91' ' ' THR . 2.2 t -147.13 43.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.9 131.32 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -106.05 155.73 19.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.03 42.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 25.5 p -139.03 137.11 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CE1' HG21 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -120.83 138.47 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.02 145.62 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 122' ' ' ILE . 2.2 mt -117.5 142.31 47.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -138.15 157.16 46.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.563 ' CD2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -100.01 168.1 10.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 87.8 t80 -162.54 101.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.177 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.26 154.74 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.34 162.02 40.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -99.23 154.13 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.03 -25.13 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.4 88.86 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.97 116.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.46 175.24 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 56.78 165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -73.04 137.83 45.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 pp -85.25 -37.39 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -57.98 -51.82 68.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -51.37 70.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 6.8 m-80 -57.56 -51.48 69.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 10.5 pt20 48.34 -176.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -81.93 164.58 21.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.71 113.61 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -59.04 128.1 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 100' ' ' TYR . 2.0 mm -86.5 -70.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -169.88 178.86 3.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.2 m -108.08 128.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 98' ' ' LEU . 5.4 pt -117.04 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.59 166.27 23.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -73.03 170.56 14.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 2.6 t70 89.13 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' ASP . 45.5 mm-40 -37.96 -41.38 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 m -149.24 61.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 4.8 p90 -66.47 122.26 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.8 m -129.37 145.41 51.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -107.04 107.81 19.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 138' ' ' MET . 10.2 p -120.77 144.5 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.16 92.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -122.72 150.17 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.6 8.81 10.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -79.77 -54.34 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 137' ' ' ILE . 1.6 mtm-85 163.07 157.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.47 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 4.7 tp 42.66 94.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' VAL . 2.0 ttm -83.82 15.2 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.99 100.95 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER -85.58 138.29 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.79 125.11 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 m -123.05 139.48 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -129.27 130.1 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -97.13 124.67 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.468 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 2.2 ttm105 -129.65 165.47 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.375 1.047 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -136.4 161.81 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 71' ' ' VAL . 1.1 m -156.13 154.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -101.61 147.51 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.598 1.186 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.48 12.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -77.29 145.78 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -45.24 94.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -26.35 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt 79.03 109.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 151.12 58.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 1.8 p90 -89.94 127.25 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -129.68 134.08 47.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -109.23 144.65 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 157' ' ' LEU . . . -141.46 151.65 43.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 p90 -130.56 156.14 45.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -131.75 122.26 25.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 54' ' ' GLN . 19.2 t70 -100.9 133.25 45.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' GLY . 1.2 m -133.25 126.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 36.68 60.3 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 141.71 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.04 101.36 11.13 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.581 HG21 ' CE1' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -137.26 155.05 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.02 150.24 50.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 168' ' ' LEU . 2.8 mm? -96.12 113.11 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.94 -55.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.6 m -168.29 -176.99 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 19.4 t -143.62 156.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -139.6 154.81 47.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.8 140.36 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 32.0 t80 -152.39 168.43 25.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -129.5 167.89 17.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -137.21 155.95 48.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 178' ' ' ALA . 7.5 ptpt -111.11 153.36 25.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.476 ' CB ' ' HD3' ' A' ' 179' ' ' PRO . . . -40.03 -54.94 4.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.04 78.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 15.7 tp -99.43 114.38 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 7.0 t -119.64 117.53 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 4.6 p -122.36 140.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.97 -48.42 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.983 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -71.13 -52.52 18.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 174' ' ' PHE . 4.1 tp10 -126.58 156.93 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -106.68 159.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -102.25 143.18 32.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -73.19 -66.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 125.49 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 10' ' ' SER . 39.8 t0 -126.85 146.86 50.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -69.58 -31.55 69.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -79.94 -37.29 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 32.3 t -63.9 -28.86 70.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 14' ' ' GLN . 5.7 m -89.27 -39.54 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' VAL . 49.4 mt-30 74.19 -57.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.26 -155.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -56.2 142.2 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.06 -14.78 15.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.79 8.26 34.88 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.454 ' CD1' ' OH ' ' A' ' 44' ' ' TYR . 64.6 p-90 -60.59 127.13 30.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -138.24 54.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -135.41 161.26 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 3.5 p 164.76 114.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.9 mp -66.17 -44.41 84.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.1 mt-10 160.51 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.96 -32.65 4.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.34 -119.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -65.7 140.11 58.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -141.23 150.26 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.34 124.35 37.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.551 ' CG1' ' NE2' ' A' ' 45' ' ' GLN . 3.8 p -135.0 138.3 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 m -104.45 124.72 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.57 172.3 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.78 144.11 27.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.06 -179.57 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 6.1 pt-20 -56.76 -33.19 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -94.49 169.63 10.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.218 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.72 164.63 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.0 m 60.98 125.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 156.41 42.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.9 145.96 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -72.3 125.89 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -120.72 178.91 4.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 17.0 m-85 -143.36 138.17 29.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.551 ' NE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.87 150.69 46.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.95 115.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 43.6 t -132.78 126.74 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -173.2 103.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.73 106.42 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' GLU . 2.1 mtm 169.56 38.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' N ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 mt-10 37.05 55.71 3.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -74.92 0.8 8.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m 47.04 45.75 15.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -87.19 137.22 32.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.2 91.46 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -83.73 116.84 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.533 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 26.8 t90 -104.4 115.99 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' HG ' ' CB ' ' A' ' 21' ' ' ALA . 3.0 mt -134.54 124.54 25.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 7.5 ptm180 -129.62 144.02 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.575 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 52.3 m -123.33 93.7 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 156' ' ' TYR . 2.1 t70 -142.91 -78.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 83.34 -72.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' O ' ' OH ' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -141.04 148.56 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -129.79 165.97 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 173.69 8.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 155' ' ' PHE . . . -167.54 -176.13 38.0 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.65 -155.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -37.73 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.46 44.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.544 HG12 ' CD2' ' A' ' 155' ' ' PHE . 0.5 OUTLIER -140.83 168.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' N ' ' CG2' ' A' ' 71' ' ' VAL . 12.8 m-85 -134.55 144.24 47.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.3 mp -135.13 130.85 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -117.59 109.78 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.67 130.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -113.75 117.86 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.3 161.57 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 139' ' ' LYS . 1.1 m -122.78 127.18 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 80' ' ' ARG . 3.4 tt -108.83 133.09 53.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' N ' HD22 ' A' ' 79' ' ' LEU . 20.5 mmt85 -77.87 113.15 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.7 123.87 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.438 ' CB ' HG22 ' A' ' 88' ' ' VAL . 11.3 m -70.02 -35.56 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -22.32 66.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -17.52 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 122.81 69.99 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.23 9.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.19 78.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 89' ' ' MET . 4.9 p -58.59 -42.81 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.505 ' C ' ' H ' ' A' ' 91' ' ' THR . 5.9 mmt 63.72 153.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.7 41.74 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.505 ' H ' ' C ' ' A' ' 89' ' ' MET . 6.5 t -134.15 31.94 3.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.9 138.72 49.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 134.23 33.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.23 33.71 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.5 p -136.55 127.0 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.4 OUTLIER -105.97 133.51 50.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.07 130.24 36.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 tp -114.61 121.27 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -121.6 149.06 43.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CD1' HG13 ' A' ' 119' ' ' ILE . 3.5 m-85 -124.63 162.63 23.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -161.16 129.22 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.47 134.21 52.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 153' ' ' LYS . 0.6 OUTLIER -166.53 155.18 10.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -104.4 167.03 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -39.94 77.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.72 78.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 165.35 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 48.44 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -66.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.31 132.88 38.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -84.31 -26.92 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.99 -42.79 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -54.74 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -66.01 -51.59 56.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 55.98 170.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -81.02 167.53 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.5 t -122.38 122.66 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -83.59 127.81 34.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.596 HG13 ' CD1' ' A' ' 100' ' ' TYR . 9.2 mm -86.88 -80.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -166.26 177.42 6.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 75.0 m -101.69 130.26 48.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.12 140.56 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -142.87 168.5 19.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 123' ' ' ALA . 3.1 t0 179.91 -159.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.17 . . . . 0.0 109.245 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 68.76 -61.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 125' ' ' ASP . 2.8 t -148.4 80.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 128' ' ' PHE . 30.6 p90 -116.86 126.99 53.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.4 m -121.04 143.31 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -101.13 109.12 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.59 141.69 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -83.52 93.83 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -122.12 146.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.63 13.21 46.79 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.73 -54.01 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 168.37 -67.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 1.0 OUTLIER -52.91 109.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.2 ttt -96.15 -31.88 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.413 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.0 OUTLIER -123.43 100.31 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.12 135.54 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -117.23 129.78 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.04 126.99 53.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -137.67 130.63 30.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.7 mt -121.42 148.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.51 161.92 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.84 159.34 36.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 2.9 p -158.32 164.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.72 65.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -79.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.17 124.75 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 88.1 p -71.11 -39.54 72.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -28.37 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 103' ' ' SER . 6.9 mmmt -89.4 162.48 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 155' ' ' PHE . . . -78.96 -163.53 25.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.592 1.183 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 67' ' ' GLY . 23.3 m-85 -142.22 121.14 12.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 60' ' ' THR . 4.4 m-85 -158.04 166.09 33.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 pt? -149.37 150.16 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -123.23 158.6 30.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 166' ' ' ILE . 7.2 t80 -120.2 156.84 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.486 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 0.0 OUTLIER -139.71 133.56 30.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 5.2 m -137.28 98.76 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 42.0 63.87 1.64 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -139.79 163.34 32.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 98.7 m -109.64 99.13 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -148.32 133.47 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -111.37 152.5 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.33 105.85 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 76' ' ' LYS . 12.7 t -75.67 -56.6 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.5 t -168.55 168.82 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 171' ' ' VAL . 2.8 p -150.43 113.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.1 162.44 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 174' ' ' PHE . 39.7 t -132.5 156.27 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 4' ' ' GLU . 20.9 t80 -149.67 169.47 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -147.84 175.13 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.06 145.88 48.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.01 155.83 16.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.473 ' N ' ' CD ' ' A' ' 179' ' ' PRO . . . -40.4 -53.96 5.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 178' ' ' ALA . 18.4 Cg_endo -74.94 61.87 5.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.63 145.77 22.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 14.6 t -122.93 167.44 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.1 t -128.86 141.39 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.225 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -61.13 -49.64 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -74.18 140.77 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.82 155.01 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.03 151.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.408 HG21 ' N ' ' A' ' 7' ' ' LEU . 1.2 m -92.85 148.19 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 4.8 tp -65.72 -50.21 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.83 139.69 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 33.2 t0 -115.45 159.37 21.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' HG11 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.72 -27.43 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 11.0 ttp-105 -94.76 -46.64 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.369 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 5.3 t -57.67 -32.01 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' GLY . 12.7 p -65.33 -49.42 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' GLY . 1.1 mt-30 69.13 -58.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -51.62 -173.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.29 148.18 9.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mp -114.52 -12.64 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 89.65 24.7 29.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' GLY . 25.6 m-90 -41.59 126.79 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -150.78 29.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB1' ' CZ3' ' A' ' 28' ' ' TRP . . . -121.45 151.25 40.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.8 p 158.18 113.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.409 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.11 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.4 mm? -66.04 -43.5 87.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mt-10 163.73 137.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.97 -36.37 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -60.45 -118.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.608 ' CD2' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -64.89 134.1 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 3.8 mt-10 -145.23 154.66 42.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 125.8 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.605 ' CG1' ' NE2' ' A' ' 45' ' ' GLN . 3.7 p -135.41 135.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.1 m -96.72 125.88 41.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.82 171.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.0 ttt -82.1 139.6 34.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -111.63 -176.26 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.375 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -19.08 11.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -101.19 172.95 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.17 -65.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -55.35 131.95 69.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 160.27 40.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' A' ' 43' ' ' THR . 0.7 OUTLIER -127.59 141.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.06 129.06 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.448 ' CG2' HD12 ' A' ' 41' ' ' ILE . 3.0 p -126.09 155.33 41.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.608 ' CD1' ' CD2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -118.7 136.05 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.605 ' NE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -148.61 155.11 40.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -136.67 116.52 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 31.8 t -126.38 116.51 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.389 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -157.64 103.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 92' ' ' CYS . 2.5 t -140.5 89.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.1 ttt -118.68 -35.38 3.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.8 mt-10 165.34 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.94 127.89 11.09 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.419 1.747 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.454 ' HB3' ' CG2' ' A' ' 162' ' ' VAL . 1.2 m -73.86 105.65 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.059 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.56 149.79 29.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.78 95.58 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -88.02 118.15 27.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -80.69 125.0 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.551 HD11 ' CB ' ' A' ' 21' ' ' ALA . 38.6 tp -138.67 125.6 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.221 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 117.23 11.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -134.04 145.91 49.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.1 OUTLIER 173.51 144.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.82 37.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 107.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 64' ' ' THR . 8.3 mm -138.39 167.14 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -157.25 140.82 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -132.21 138.05 47.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 10.5 pt-20 -130.52 176.85 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.79 -87.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.5 158.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -103.38 -37.72 7.51 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 10.3 mtm-85 -107.38 150.61 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' HG22 ' A' ' 147' ' ' VAL . 12.9 m -136.6 179.22 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 174' ' ' PHE . 0.6 OUTLIER -142.32 132.06 24.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 145' ' ' ARG . 3.7 mp -137.54 151.97 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 73' ' ' ILE . 2.8 mt-10 -135.96 137.61 41.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.433 HG22 ' CG1' ' A' ' 171' ' ' VAL . 0.4 OUTLIER -120.37 131.29 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 142' ' ' THR . 1.2 mttt -110.08 119.26 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 167' ' ' ALA . 13.6 p90 -139.79 162.24 35.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.496 ' HB ' ' CG2' ' A' ' 137' ' ' ILE . 1.5 p -124.74 127.45 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -106.21 141.81 36.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -79.01 148.92 32.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 54.6 m-20 -73.95 121.24 20.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.52 -22.67 43.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.278 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.63 -21.91 66.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -18.43 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.621 ' CD2' ' CZ ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -65.93 119.38 60.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 73.14 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 113.6 29.24 2.97 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -40.09 -30.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 87' ' ' GLY . 9.5 mmt 62.63 -99.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.41 24.59 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -105.45 15.19 27.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.5 ' CB ' HG12 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -114.04 126.07 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.356 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 164.94 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.61 43.0 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 48.6 p -129.87 144.15 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -132.69 154.04 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -107.68 147.18 31.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD1' HD13 ' A' ' 122' ' ' ILE . 21.9 mt -108.69 143.53 37.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE1' ' N ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -144.48 161.9 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 119' ' ' ILE . 9.2 p90 -159.73 160.47 34.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -162.58 116.51 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -156.83 135.62 11.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.16 171.65 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -74.18 177.07 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -54.97 -39.34 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.3 155.4 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.07 109.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 2.3 tt0 178.12 167.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER 85.58 -43.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.52 142.45 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.0 pt -59.62 -35.07 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -63.52 -52.62 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -45.95 91.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.1 -44.01 96.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -47.28 131.12 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.377 1.048 . . . . 0.0 110.264 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -76.23 -174.91 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 100' ' ' TYR . 4.1 t -139.99 115.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.609 ' N ' ' CE1' ' A' ' 99' ' ' TYR . 11.7 tttt -66.67 134.91 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 100' ' ' TYR . 22.3 mm -86.64 -65.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.79 178.9 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.4 m -103.86 127.92 51.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.503 HD13 ' CD1' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -107.45 142.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.21 164.9 26.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -66.65 175.79 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.3 m-20 79.61 -155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 71.52 -63.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.0 81.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 125' ' ' ASP . 1.0 OUTLIER -94.32 122.98 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.9 p -128.87 118.6 22.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.57 108.06 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.31 143.56 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.66 93.15 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -97.38 148.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -119.09 -18.0 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.409 ' O ' ' HD3' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -75.99 -57.61 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER 169.46 177.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.496 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 2.5 mp 49.62 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 ttt -93.18 16.58 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -121.45 100.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 1.3 mm? -86.41 140.74 29.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.0 123.63 32.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.406 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 2.8 m -123.88 134.31 53.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -119.0 131.28 55.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.73 116.75 35.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' ILE . 7.5 mmm180 -114.15 141.75 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -137.13 157.13 47.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.492 HG22 ' CG2' ' A' ' 71' ' ' VAL . 1.5 t -126.81 166.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 -71.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 155' ' ' PHE . 0.1 OUTLIER 175.88 58.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -35.26 76.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -24.0 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 77.14 149.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 150' ' ' LEU . . . 63.95 135.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 155' ' ' PHE . 2.6 p90 -142.62 141.85 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -99.91 145.85 27.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -102.52 141.06 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.78 134.7 28.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -125.29 146.79 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.44 114.5 13.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -96.04 136.91 35.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 8.1 p -137.15 116.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 37.47 62.2 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 163.11 39.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 99.4 m -123.28 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.502 ' HB ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -136.91 143.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 45' ' ' GLN . . . -117.48 153.09 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.69 105.7 16.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 55.3 t -77.99 -56.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -167.53 167.12 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.078 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.433 ' CG1' HG22 ' A' ' 75' ' ' ILE . 5.9 m -140.99 115.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -102.65 155.38 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.59 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' TYR . 17.2 t80 -152.26 169.56 22.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -123.4 175.09 6.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -134.23 98.72 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 102.52 11.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 179' ' ' PRO . . . -57.96 -53.45 65.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -75.04 75.94 3.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.01 138.37 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 1.9 m -115.98 154.62 29.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 183' ' ' ARG . 13.0 t -87.69 114.38 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 182' ' ' VAL . 12.2 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -49.36 74.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 110.059 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.16 110.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 154.91 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.643 1.214 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.1 161.8 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -77.06 148.95 35.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 HD22 ' CZ ' ' A' ' 65' ' ' ARG . 2.0 tt -77.28 -60.18 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -149.84 145.89 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.45 146.39 50.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 p -84.4 -31.67 24.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -39.7 81.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -56.26 -29.49 61.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.927 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' GLN . 1.1 m -89.77 -41.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 13' ' ' VAL . 15.3 pt20 45.46 106.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.92 -142.89 14.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.34 121.69 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -102.06 -11.82 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.11 51.76 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 p-90 -66.92 149.41 50.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tt -132.18 63.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -124.84 136.89 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 t 159.13 112.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.496 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.94 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -64.23 -37.21 86.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.3 mt-10 161.46 138.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.05 -29.82 9.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.496 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -70.49 -113.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CH2' ' HG3' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -65.12 140.29 58.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -145.67 150.1 35.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' CH2' ' A' ' 28' ' ' TRP . 39.6 mt-10 -95.9 111.01 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.49 132.32 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.4 p -97.03 126.89 42.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 171.15 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.8 134.32 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -102.8 169.77 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -54.45 -21.33 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.01 167.69 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.24 156.28 22.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 29.4 m 61.72 133.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 161.1 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -121.92 149.11 25.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 125.34 28.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.4 p -123.01 157.25 33.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -118.31 136.96 53.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -141.72 143.83 33.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 28' ' ' TRP . 13.8 p -133.42 106.69 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.09 113.34 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 108.343 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.61 103.45 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG13 ' CB ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -115.7 -12.38 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -65.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.95 153.94 8.14 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.9 p 39.33 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -78.15 148.48 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.17 93.68 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -101.62 121.3 41.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.438 ' CZ2' ' OG1' ' A' ' 60' ' ' THR . 18.3 t90 -78.74 116.02 18.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' CB ' ' A' ' 21' ' ' ALA . 10.1 mp -133.88 140.23 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CG ' ' HB3' ' A' ' 157' ' ' LEU . 7.6 mpt_? 66.47 131.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 157' ' ' LEU . 2.8 m -138.42 -74.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.654 ' CB ' ' CD2' ' A' ' 156' ' ' TYR . 14.2 p-10 -124.43 -165.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.455 ' HA ' ' CE3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -167.9 -157.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 108.002 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 ' O ' ' CB ' ' A' ' 155' ' ' PHE . 1.5 tt -117.02 152.16 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 t -72.42 145.68 47.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.473 ' CZ ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -127.1 164.57 21.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.51 -177.91 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.3 -161.2 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.75 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -38.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -174.27 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 147' ' ' VAL . 3.4 m -130.84 -167.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 174' ' ' PHE . 4.6 m-85 -144.6 130.33 19.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 74' ' ' GLU . 1.4 mt -122.86 148.61 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.3 pt-20 -128.13 119.95 26.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -111.42 128.31 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.59 118.49 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -140.44 161.75 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.461 ' CG2' HG23 ' A' ' 137' ' ' ILE . 2.3 m -120.8 146.28 46.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.448 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.3 OUTLIER -120.74 139.79 52.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.232 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.46 ' CG ' HD23 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -93.39 127.8 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.93 139.52 58.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 -21.59 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -77.99 -24.08 48.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -91.94 -16.97 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 80' ' ' ARG . 1.3 mp -75.47 115.62 47.21 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.93 79.73 0.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 12.2 p -114.35 40.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.97 -64.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.88 21.25 4.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.392 1.058 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.0 t -128.63 50.02 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.408 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.461 ' CB ' HG13 ' A' ' 49' ' ' VAL . 22.5 p -115.08 131.67 56.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.9 165.72 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -135.57 26.38 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.2 p -140.74 156.44 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.426 ' CD1' ' HZ ' ' A' ' 159' ' ' PHE . 40.5 m-85 -141.36 157.6 44.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.54 122.04 46.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -109.2 145.23 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.607 ' CD1' ' O ' ' A' ' 98' ' ' LEU . 23.1 m-85 -144.2 165.42 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 157' ' ' LEU . 0.6 OUTLIER -127.56 170.67 12.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -155.31 149.4 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -153.3 151.76 30.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 p -150.54 151.79 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.53 174.7 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.01 -40.88 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -58.1 -62.97 1.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.72 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -90.12 -95.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -159.6 30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -72.47 144.6 48.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.0 -29.28 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -33.58 75.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -34.16 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.55 -44.47 86.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.61 118.43 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -68.97 175.87 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.0 t -114.77 110.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -73.02 134.29 44.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.93 -96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -169.02 178.23 4.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.67 134.17 41.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.463 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 143' ' ' GLU . 1.7 pt -117.12 141.32 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.8 165.87 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.532 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . . . -58.28 108.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER 167.21 -37.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 73.1 mm-40 -37.1 -44.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.97 60.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -67.56 120.9 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.7 m -123.82 144.24 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.14 107.6 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.422 HG12 ' CD2' ' A' ' 140' ' ' LEU . 5.9 p -116.66 143.57 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.5 91.85 8.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.5 tt -123.98 149.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.33 -6.14 31.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.11 -54.58 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 166.65 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 78' ' ' THR . 21.9 pt 43.7 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -30.07 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -110.57 100.95 9.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.371 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 140' ' ' LEU . 1.2 mm? -86.3 131.72 34.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.461 ' ND2' ' CB ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -127.18 127.77 45.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 m -123.86 135.79 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 8.9 tm-20 -124.83 131.69 53.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 74.5 mt -109.82 145.05 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.2 164.11 31.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.39 150.99 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.24 165.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 157.21 -49.18 0.45 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.0 118.98 5.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.16 116.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -68.24 -41.25 81.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -34.83 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 131.76 172.3 13.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.122 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -140.87 110.76 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 111.036 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.654 ' CD2' ' CB ' ' A' ' 61' ' ' ASP . 21.5 m-85 -139.32 158.88 43.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 100' ' ' TYR . 1.7 mm? -128.27 149.11 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.456 ' N ' ' HB3' ' A' ' 59' ' ' ARG . . . -142.75 134.9 27.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 160' ' ' GLN . 6.4 t80 -145.6 153.27 40.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 1.1 tp60 -139.63 121.1 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.44 131.92 53.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 13.4 m -137.08 105.82 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.434 ' C ' ' CG1' ' A' ' 49' ' ' VAL . . . 48.7 66.59 2.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -142.77 166.08 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 79.3 m -132.46 100.57 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.359 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.2 pp -144.63 153.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 45' ' ' GLN . . . -127.37 156.98 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 110.77 23.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.6 t -78.64 -55.34 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 4.5 t -169.69 167.4 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.24 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.3 161.98 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 7' ' ' LEU . 86.7 t -115.82 164.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' TYR . 24.4 t80 -152.5 169.21 23.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -135.43 166.26 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -132.28 154.59 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -103.14 141.18 36.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.507 ' N ' ' CD ' ' A' ' 179' ' ' PRO . . . -68.78 -52.61 17.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 178' ' ' ALA . 18.4 Cg_endo -74.97 87.33 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.67 141.04 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.4 m -68.62 135.57 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.48 140.07 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -62.25 -49.02 77.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 110.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -45.88 169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.24 155.49 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -104.77 168.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.0 p -104.54 154.21 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.426 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.9 -53.81 40.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -161.93 138.08 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.16 142.62 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.44 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 10.7 p -78.2 -31.87 49.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -33.96 75.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -55.83 -35.53 66.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 17' ' ' LEU . 15.0 p -87.92 -30.97 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' GLY . 46.3 mt-30 68.35 -65.56 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -42.91 167.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.49 151.79 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 13' ' ' VAL . 4.0 mm? -115.28 -13.14 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.34 37.26 0.8 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.419 1.074 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.531 ' CE3' ' CH2' ' A' ' 28' ' ' TRP . 53.0 p-90 -65.33 127.53 32.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -134.16 63.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' CB ' HD22 ' A' ' 58' ' ' LEU . . . -138.58 154.33 48.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.4 t 160.4 112.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -157.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -64.24 -38.75 92.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mt-10 158.94 128.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.97 -45.38 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.18 -121.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE2' ' HB3' ' A' ' 44' ' ' TYR . 18.3 t90 -64.61 124.13 21.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -141.94 148.24 38.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' OE1' ' CH2' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -91.15 110.98 22.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.07 136.98 51.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.4 p -96.74 136.27 37.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.65 171.02 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.82 126.7 34.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.34 -179.31 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -20.78 59.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 169.75 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.89 -69.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 9.1 t -59.69 144.69 84.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.05 163.66 34.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 pt -120.08 132.7 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 125.23 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.405 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 2.9 p -129.8 173.43 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -118.72 136.76 53.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.48 ' HG3' ' CB ' ' A' ' 167' ' ' ALA . 0.7 OUTLIER -125.85 149.14 48.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 28' ' ' TRP . 4.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 t -175.14 101.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HA2' ' A' ' 163' ' ' GLY . 1.3 m-20 -149.51 103.28 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.54 37.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 ttt -106.97 -60.41 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 165.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 106.39 2.27 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p 53.42 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 140.59 35.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.19 86.47 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -102.57 116.34 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -113.2 126.24 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 159' ' ' PHE . 1.9 tm? -139.65 126.51 20.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.89 148.81 34.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -111.2 101.35 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HA ' ' CE2' ' A' ' 156' ' ' TYR . 2.3 p30 -50.69 163.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 173' ' ' VAL . 17.4 t-105 -168.91 161.55 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 107.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -120.39 151.4 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.8 p -49.68 115.97 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.465 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -130.1 142.05 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.85 166.97 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.91 171.36 44.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -171.19 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -37.85 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -137.86 146.02 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 147' ' ' VAL . 1.0 OUTLIER -131.38 -166.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' VAL . 93.6 m-85 -155.31 130.68 9.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 145' ' ' ARG . 1.3 mp -113.38 126.71 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 143' ' ' GLU . 34.4 mt-10 -107.66 118.75 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' CG2' HG21 ' A' ' 171' ' ' VAL . 2.8 mt -111.12 133.71 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.39 118.46 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.441 ' O ' ' OD1' ' A' ' 141' ' ' ASN . 39.3 p90 -140.87 162.54 35.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.455 ' OG1' ' CG2' ' A' ' 137' ' ' ILE . 20.8 m -119.71 129.51 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.484 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -103.88 137.76 41.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -92.95 128.71 38.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.54 123.52 21.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.84 -37.75 85.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -56.98 -30.7 64.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 m -77.68 -23.24 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 135.77 94.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 60.64 5.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.472 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 122.05 71.03 0.27 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' GLY . 2.7 p -39.9 -28.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.472 ' N ' ' C ' ' A' ' 87' ' ' GLY . 0.8 OUTLIER 68.73 4.97 4.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.14 24.24 27.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.502 ' O ' ' CG2' ' A' ' 91' ' ' THR . 3.4 t -139.88 45.03 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.65 126.72 55.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 165.58 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.78 51.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -148.07 149.28 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -148.49 136.41 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.43 135.38 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.71 133.24 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 118' ' ' LYS . 17.5 m-85 -125.34 162.6 24.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.52 ' CD1' HG13 ' A' ' 119' ' ' ILE . 4.3 m-85 -128.23 169.21 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -152.51 104.88 2.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 150' ' ' LEU . 2.7 tm-20 -147.5 134.84 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -159.42 160.28 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.79 167.19 21.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.37 -38.02 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.31 113.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -67.74 97.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.63 109.92 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 65.33 155.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.279 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.78 141.03 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.6 pp -54.27 -29.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.97 -48.24 79.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.38 -51.42 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.24 -47.07 86.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 55.55 173.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -71.34 156.83 39.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.14 109.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.513 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 13.6 ptpt -60.16 145.84 45.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 100' ' ' TYR . 47.6 mm -100.88 -82.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.17 176.85 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 p -98.33 130.0 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.4 pt -116.89 144.49 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.21 167.03 24.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.56 116.16 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER 170.43 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 68.3 -62.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -128.84 49.81 2.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.75 121.24 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 19.5 m -142.64 140.04 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -87.36 119.48 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.39 145.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.42 152.24 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.05 152.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.36 -30.7 6.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.563 1.164 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.13 -54.09 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 176.44 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.225 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.455 ' CG2' ' OG1' ' A' ' 78' ' ' THR . 1.4 mp 66.43 156.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.7 ttt -97.2 -35.35 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.71 97.88 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -90.41 120.34 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 141' ' ' ASN . 27.8 p30 -140.21 142.66 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.9 m -124.7 135.03 52.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 8.3 tm-20 -118.56 129.41 55.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.48 128.92 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.555 ' NE ' ' H ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -104.24 177.95 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.555 ' H ' ' NE ' ' A' ' 145' ' ' ARG . 6.7 p-10 -137.56 145.56 43.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 71' ' ' VAL . 38.5 t -150.83 142.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.19 -74.15 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -178.98 38.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.424 1.077 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.0 m -62.05 -39.43 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -58.67 -25.16 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 59.17 -170.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 58.54 84.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.579 ' CD1' ' CD2' ' A' ' 150' ' ' LEU . 46.2 p90 -141.94 171.02 14.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -138.48 123.27 18.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -101.39 136.91 40.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.02 43.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.392 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 6.7 p90 -138.42 153.95 48.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -113.37 129.27 56.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -107.08 134.91 49.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.35 116.44 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 48' ' ' ASN . . . 50.28 48.98 39.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.11 167.68 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 30.1 m -135.99 112.01 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.59 HG23 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -147.4 162.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -130.7 157.41 42.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -101.51 106.0 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 24.7 t -80.75 -54.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -173.81 177.61 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.434 HG21 ' CG2' ' A' ' 75' ' ' ILE . 55.9 t -149.46 116.82 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.185 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 161.48 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 62' ' ' TRP . 37.6 t -129.65 157.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 175' ' ' TYR . 34.0 t80 -152.56 169.44 22.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . 0.41 ' N ' ' CG ' ' A' ' 174' ' ' PHE . 4.4 p90 -142.36 173.81 11.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 137.26 49.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -65.67 156.74 31.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.464 ' CB ' ' HD3' ' A' ' 179' ' ' PRO . . . -49.14 -54.93 24.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.06 65.58 6.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.98 147.44 23.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 46.6 m -117.41 127.19 53.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 182' ' ' VAL . 7.4 p -133.23 98.87 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 m -89.9 -50.85 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -161.73 112.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -133.16 147.13 52.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.9 t -108.64 155.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -122.85 154.37 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.1 mt -67.1 -66.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.39 165.51 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 39.1 t0 -124.16 151.43 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.478 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.2 p -68.44 -29.77 68.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -37.79 18.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 8.5 t -70.16 -25.76 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.992 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 9' ' ' ASP . 13.1 p -90.38 40.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' VAL . 29.5 mt-30 -36.58 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -52.68 -68.5 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 18' ' ' GLY . 36.9 mt-10 -60.04 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 10' ' ' SER . 4.1 mm? 76.43 -10.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 16' ' ' GLU . . . -79.19 -7.65 88.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.521 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -102.6 126.41 49.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER 174.87 -170.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -101.93 134.09 45.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.2 p -154.14 112.9 2.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.5 Cg_endo -74.91 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.3 mp -66.13 -36.82 84.15 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 1.5 mt-10 159.06 137.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.225 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.32 3.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -65.64 -97.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.488 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -64.28 123.79 20.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -118.64 142.24 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -100.4 111.38 23.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.21 137.39 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -99.26 127.91 45.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' CD1' ' C ' ' A' ' 33' ' ' ILE . 1.7 pp -131.87 171.1 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 127.46 33.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.9 -172.95 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.69 -28.8 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.84 161.01 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -59.98 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 77.1 p -60.47 144.76 88.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 156.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.34 154.38 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -78.41 124.92 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.2 p -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -116.59 136.66 52.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.63 153.6 49.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.77 149.0 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.7 t -170.1 105.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.378 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.65 104.42 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.9 7.01 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -2.04 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -161.78 116.06 1.25 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.4 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.597 1.841 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 p 84.94 5.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.68 137.54 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -157.31 58.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.19 124.91 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.7 t90 -86.07 114.93 23.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 107.946 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 0.2 OUTLIER -115.96 128.33 55.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -115.85 116.29 27.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -110.94 150.74 28.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.21 169.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.92 -64.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 64' ' ' THR . 5.9 mt -125.13 158.55 33.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.566 HG21 ' CZ ' ' A' ' 155' ' ' PHE . 24.4 m -124.28 143.94 50.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -99.1 162.69 12.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.37 164.08 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.87 -143.24 6.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.43 -174.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.58 90.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -139.33 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.529 ' CG2' ' N ' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -126.16 -161.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.574 ' HB3' ' CE2' ' A' ' 174' ' ' PHE . 0.2 OUTLIER -150.1 129.16 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 144' ' ' ILE . 7.0 mt -114.08 136.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -121.54 109.85 15.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.78 128.79 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -112.01 119.86 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CD1' ' OD1' ' A' ' 141' ' ' ASN . 42.2 p90 -140.3 161.65 37.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 167' ' ' ALA . 16.6 m -123.78 128.59 49.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -103.36 146.75 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -91.18 158.68 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.46 123.54 29.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.8 t -81.42 -12.59 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.55 -25.72 52.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -79.59 -19.88 48.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' CB ' ' CD ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -72.08 176.19 2.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.96 76.74 3.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' MET . . . 48.75 42.34 28.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.563 ' O ' ' CB ' ' A' ' 89' ' ' MET . 1.5 t 67.82 -63.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.563 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 86.01 -36.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.99 -26.57 7.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -84.36 19.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 126.95 47.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 156.3 26.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.78 35.93 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.3 p -147.18 148.06 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 166' ' ' ILE . 0.1 OUTLIER -114.25 169.09 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -125.38 124.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' CD1' ' CD2' ' A' ' 159' ' ' PHE . 2.7 mp -109.71 135.47 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -133.31 170.31 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 p90 -153.31 166.29 33.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -160.93 119.83 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -97.02 156.13 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.57 153.86 20.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.117 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 170.8 8.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -55.88 -34.32 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.21 125.55 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.05 110.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.63 173.28 14.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 153.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -77.92 143.91 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.25 -41.79 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -45.77 91.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -55.45 -47.87 75.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -57.85 -45.78 85.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.54 131.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 22.7 m-85 -62.58 160.38 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 100' ' ' TYR . 12.1 t -124.31 101.04 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -70.82 126.09 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 145' ' ' ARG . 32.4 mt -65.7 -73.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.17 178.24 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 4.5 m -99.46 125.82 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.0 pt -112.46 140.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.42 165.95 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 100.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.569 ' HA ' ' CD1' ' A' ' 128' ' ' PHE . 0.3 OUTLIER 167.15 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 69.03 -60.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 125' ' ' ASP . 3.7 m -137.39 44.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 125' ' ' ASP . 3.9 p90 -100.1 125.42 46.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -112.59 136.26 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -89.54 108.63 19.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 p -114.12 142.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -89.92 93.47 9.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -121.69 160.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.68 10.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 2.8 p-10 -79.6 -47.68 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 7.0 mtt85 162.21 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.1 pt -62.34 91.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -94.4 -12.44 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.76 104.44 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.2 mp -82.68 134.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.599 ' OD1' ' CD1' ' A' ' 77' ' ' PHE . 1.9 m120 -128.58 124.78 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.36 123.55 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.45 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.6 131.31 35.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.294 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 79.2 mt -109.62 137.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.449 ' CG ' HG22 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -119.98 174.07 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.07 150.47 51.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.569 HG12 ' CZ ' ' A' ' 155' ' ' PHE . 0.4 OUTLIER -158.37 163.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -135.42 147.16 19.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.568 1.168 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.54 39.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.38 176.11 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.185 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.15 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.18 137.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 119.96 75.57 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 147' ' ' VAL . 7.3 p90 -124.59 168.23 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -153.38 172.64 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -126.46 150.83 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 58' ' ' LEU . . . -135.11 158.42 44.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.57 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-85 -119.75 161.18 21.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.38 115.27 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -97.12 119.17 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 8.6 p -133.61 117.66 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 39.87 57.39 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.5 156.88 41.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 57.6 m -121.18 107.37 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.581 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -143.25 151.82 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -120.02 152.26 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.48 105.02 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.7 t -76.84 -58.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 162.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 45.7 t -149.37 116.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -118.26 162.12 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -135.35 132.53 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 72' ' ' TYR . 3.4 p90 -154.15 168.97 24.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 175' ' ' TYR . 9.0 p90 -120.0 159.43 24.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -129.94 151.19 50.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -72.76 116.83 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' A' ' 179' ' ' PRO . . . -54.41 -54.25 50.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 178' ' ' ALA . 18.6 Cg_endo -75.03 73.21 4.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.46 1.768 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.72 149.56 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 9.3 t -66.29 117.19 8.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 14.5 p -145.55 145.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.98 155.36 47.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.48 153.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -83.74 154.06 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 8' ' ' LEU . 1.2 tm? -165.37 141.45 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.678 ' H ' HD22 ' A' ' 8' ' ' LEU . 35.0 t0 -124.8 148.99 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 p -68.24 -31.12 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -81.55 -35.65 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 47.5 t -64.78 -29.83 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 17' ' ' LEU . 7.9 p -89.24 -46.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 70.0 -61.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.21 171.78 2.01 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 16.2 pt-20 -57.64 155.06 10.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 13' ' ' VAL . 8.7 mp -109.39 -16.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.0 28.05 3.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ2' ' OH ' ' A' ' 44' ' ' TYR . 1.1 m-90 -52.56 148.15 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -160.77 35.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.24 155.07 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p 158.67 155.77 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -166.28 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -67.51 -43.03 81.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mt-10 165.79 151.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.53 -33.12 5.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -67.9 -115.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CE3' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.7 138.83 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.0 150.32 36.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.29 111.89 24.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.44 137.27 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -91.93 131.49 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 ' OD2' ' A' ' 135' ' ' ASP . 2.2 pp -128.87 168.78 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 38' ' ' ASN . 24.7 tpp -83.12 135.81 34.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.11 -173.94 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.16 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -100.81 163.13 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 2.5 t-20 -65.1 -51.4 61.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -63.18 133.03 95.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.09 41.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pt -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -81.64 124.86 29.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -130.49 -178.13 4.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.586 ' OH ' ' CZ2' ' A' ' 19' ' ' TRP . 2.3 m-85 -140.44 136.32 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.628 ' OE1' HG23 ' A' ' 31' ' ' VAL . 2.0 mt-30 -131.54 136.54 47.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' C ' ' A' ' 27' ' ' GLY . 15.0 p -136.47 110.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -133.05 121.08 22.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.63 103.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 91' ' ' THR . 1.3 p -125.81 59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -1.3 11.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.94 108.9 0.22 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.02 122.24 7.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER 155.87 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.94 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.539 ' O ' HG12 ' A' ' 162' ' ' VAL . 35.6 mm-40 -54.15 129.99 36.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -116.19 73.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' HG21 ' A' ' 46' ' ' VAL . 85.8 m-20 -63.25 116.6 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.415 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 21.4 t90 -102.04 119.7 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.579 HD23 ' CE3' ' A' ' 28' ' ' TRP . 1.5 mm? -129.81 137.24 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.94 147.36 41.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 159' ' ' PHE . 17.5 m -128.09 126.66 41.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.21 -179.74 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 76.5 61.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.818 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.1 tt -148.18 156.62 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' CG ' ' A' ' 155' ' ' PHE . 1.0 OUTLIER -155.61 143.81 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 162.14 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.33 179.67 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.33 -51.06 61.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.11 143.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -43.58 -37.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 175.11 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 146' ' ' ASP . 0.6 OUTLIER -128.82 170.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.4 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -108.56 129.38 55.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.759 ' CG1' HG22 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -136.39 140.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 pp20? -125.15 119.96 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.926 HG23 HG23 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -109.71 134.03 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 142' ' ' THR . 2.3 mttt -116.36 119.71 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -138.78 161.02 38.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 167' ' ' ALA . 1.8 m -133.24 126.92 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.53 159.7 28.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -88.9 110.58 21.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -57.32 124.78 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.82 -19.73 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.351 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -26.27 61.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -91.1 -16.21 28.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.29 114.28 52.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.12 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.71 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.065 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 89' ' ' MET . 4.1 p -68.02 -50.12 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 161.46 -47.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.961 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.2 27.73 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.2 t -143.45 42.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.77 135.8 53.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 131.38 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 pt-20 -107.08 42.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 94' ' ' GLU . 2.2 p -154.58 156.38 36.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -129.58 168.41 16.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 87.0 m-20 -128.51 127.69 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.001 HD23 HD11 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -112.05 134.7 53.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.776 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 83.2 m-85 -129.8 169.98 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.9 p90 -138.48 164.6 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.484 ' CB ' ' HB2' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -140.02 121.08 14.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -125.26 153.86 42.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -166.45 170.18 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.34 167.9 13.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.0 -41.0 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.57 96.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.83 -63.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 110' ' ' PHE . 3.9 tt0 -173.77 157.84 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 77.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 108' ' ' GLU . 45.2 m-85 -76.8 144.06 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.2 mm -59.61 -34.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -65.35 -43.58 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.451 ' OE1' HD11 ' A' ' 150' ' ' LEU . 21.2 mm-40 -69.92 -52.3 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.02 -44.91 71.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -42.17 107.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -61.95 173.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 37.2 t -151.02 127.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 21.8 pttt -66.68 148.63 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mm -94.43 -62.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.45 171.63 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 m -93.24 128.78 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 1.001 HD11 HD23 ' A' ' 98' ' ' LEU . 6.5 pt -117.15 139.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.78 166.54 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -57.69 172.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.8 t0 80.51 -155.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 70.99 -62.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -139.87 59.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 128' ' ' PHE . 55.9 p90 -88.14 125.05 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.763 ' HB ' HD21 ' A' ' 140' ' ' LEU . 28.9 m -109.7 143.77 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.84 115.21 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -121.82 143.15 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.63 93.02 8.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.9 tt -121.67 160.85 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.39 10.0 10.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.852 ' OD2' HD13 ' A' ' 33' ' ' ILE . 3.5 t0 -80.04 -53.38 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.808 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 138' ' ' MET . 5.4 mtt-85 164.44 -53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.741 HD13 HG22 ' A' ' 169' ' ' VAL . 58.3 mt -48.51 96.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 15.7 ttt -94.41 -31.36 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -122.65 100.97 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -86.31 140.65 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -122.81 126.3 47.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.59 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.5 m -116.76 129.73 56.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -126.74 131.38 51.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.91 122.97 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.2 mmp_? -138.64 165.01 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 71' ' ' VAL . 1.6 p30 -136.06 160.9 37.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 149' ' ' PRO . 9.3 p -158.38 142.36 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 149' ' ' PRO . . . 174.08 61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 147' ' ' VAL . 18.4 Cg_endo -74.98 -79.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.451 HD11 ' OE1' ' A' ' 113' ' ' GLU . 10.4 mt -62.9 119.69 9.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -33.87 70.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 153' ' ' LYS . 3.1 ptmt -54.32 -49.11 70.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 152' ' ' LYS . 0.8 OUTLIER 164.77 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 107.88 108.48 3.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.818 ' HB2' HG23 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -142.06 109.65 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.484 ' HB2' ' CB ' ' A' ' 101' ' ' TYR . 5.7 m-85 -160.79 128.46 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 157' ' ' LEU . 11.7 mt -95.2 151.09 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -141.49 136.22 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.418 ' CE2' ' OG1' ' A' ' 60' ' ' THR . 10.1 m-85 -118.27 143.28 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.22 123.73 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . 30.2 t70 -119.92 136.01 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 162' ' ' VAL . 6.7 m -136.92 109.96 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 41.08 60.0 2.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -149.09 148.38 29.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 89.5 m -104.08 105.71 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.878 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -146.12 146.18 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.42 155.1 46.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 ' HE1' ' A' ' 28' ' ' TRP . 2.4 mm? -92.59 127.93 38.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 137' ' ' ILE . 45.3 t -95.93 -50.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 169' ' ' VAL . 0.7 OUTLIER -171.74 168.3 6.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.926 HG23 HG23 ' A' ' 75' ' ' ILE . 7.9 p -150.32 137.43 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 173' ' ' VAL . 13.6 ttt180 -144.83 147.84 33.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.759 HG22 ' CG1' ' A' ' 73' ' ' ILE . 62.6 t -122.4 145.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CZ ' ' O ' ' A' ' 175' ' ' TYR . 51.1 t80 -152.17 151.58 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' TYR . . . . . 0.412 ' O ' ' CZ ' ' A' ' 174' ' ' PHE . 26.8 p90 -103.36 147.14 27.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 155.82 49.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.56 154.86 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.224 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -103.62 153.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.6 p -85.7 133.42 34.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.5 tm? -88.33 -47.27 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.74 120.02 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 1.011 ' O ' HG23 ' A' ' 13' ' ' VAL . 42.2 m-20 -122.57 148.36 45.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.605 ' OG ' HG22 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -69.06 -31.83 70.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -82.53 -40.97 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.9 t -70.62 -11.37 60.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 9' ' ' ASP . 2.6 t -65.01 -64.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 30.9 mt-30 81.79 -45.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -59.61 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.625 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -65.94 -164.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER 170.85 -26.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -50.61 -19.4 3.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 58' ' ' LEU . 9.6 m0 67.65 155.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.98 29.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -140.24 128.56 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.39 154.35 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.23 -43.37 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 170.11 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -36.46 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.38 -101.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.588 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -68.03 133.14 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.71 150.0 41.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -96.29 121.83 38.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.03 137.88 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 p -100.0 126.84 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -136.61 169.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 127.6 34.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -173.43 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.2 -22.15 66.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -100.69 167.91 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.36 162.75 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.3 m 62.63 127.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 157.64 42.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.409 1.742 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.67 153.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -76.77 125.57 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -126.41 165.74 18.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 38.7 m-85 -127.57 137.07 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.5 OUTLIER -139.99 142.4 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG11 ' OD1' ' A' ' 56' ' ' ASN . 7.2 p -135.23 107.62 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.1 m -128.06 128.16 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -173.38 104.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.9 151.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.229 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.637 ' O ' HG21 ' A' ' 91' ' ' THR . 1.5 ttt 178.24 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.33 156.41 31.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 1.3 p 171.75 104.53 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 0.0 110.057 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CD ' ' OE1' ' A' ' 160' ' ' GLN . 14.6 pt20 -56.28 151.76 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 53' ' ' SER . 9.5 m-80 -151.02 -43.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.579 ' OD1' HG11 ' A' ' 46' ' ' VAL . 2.8 t30 -70.86 115.42 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.62 ' O ' HD22 ' A' ' 58' ' ' LEU . 23.5 t90 -125.8 143.22 51.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.657 1.223 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 1.4 mm? -141.64 138.33 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -150.48 143.7 24.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' THR . 8.5 t -133.99 101.26 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 156' ' ' TYR . 4.8 t0 -134.1 115.22 14.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER 165.49 44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 108.063 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.26 150.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 153' ' ' LYS . 5.8 p -144.77 113.55 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.0 165.94 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -127.7 150.9 49.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.51 -144.74 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.52 -53.37 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -176.13 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 8.3 mtm180 -134.42 148.28 50.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.735 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -132.88 -172.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.378 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.735 ' N ' HG23 ' A' ' 71' ' ' VAL . 20.3 m-85 -134.3 130.04 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.912 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -123.71 127.82 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -109.75 109.09 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.035 HG23 HG12 ' A' ' 171' ' ' VAL . 2.9 mt -101.37 134.32 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.837 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -120.05 118.7 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -140.19 154.38 46.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 137' ' ' ILE . 23.4 m -125.95 125.22 42.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.9 156.0 29.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -81.91 134.66 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -76.88 147.27 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.78 -20.45 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 108.278 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -84.75 -17.66 37.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.877 HD23 HG11 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -69.17 123.52 88.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.06 3.21 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.84 70.1 1.12 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.609 1.193 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.877 HG11 HD23 ' A' ' 85' ' ' LEU . 10.5 p -86.98 62.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 2.5 mmt 66.58 -62.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.29 27.43 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.637 HG21 ' O ' ' A' ' 50' ' ' MET . 8.6 t -124.7 32.62 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -114.75 133.72 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 164.1 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 95' ' ' THR . 2.2 mt-10 -138.81 67.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 94' ' ' GLU . 5.7 p -159.17 137.77 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.501 ' CZ ' ' HB ' ' A' ' 166' ' ' ILE . 1.3 m-85 -120.62 169.5 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.9 m-80 -127.17 136.24 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 122' ' ' ILE . 6.6 mt -108.41 128.27 54.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 97.5 m-85 -128.22 153.11 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' HG13 ' A' ' 119' ' ' ILE . 16.6 m-85 -140.26 159.57 41.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 156' ' ' TYR . 4.9 p90 -161.13 141.91 11.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 150' ' ' LEU . 2.6 mt-10 -129.6 140.84 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 152' ' ' LYS . 8.0 t -87.6 141.15 28.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.53 176.43 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.07 -40.61 78.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.16 -166.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 108' ' ' GLU . 0.2 OUTLIER 61.7 -171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 84.6 111.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.73 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.28 141.68 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.27 -38.1 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -45.14 95.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -44.6 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -55.97 -37.31 68.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -41.86 134.07 2.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.91 167.3 13.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.81 121.81 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 130.84 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 100' ' ' TYR . 26.3 mm -89.5 -75.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.65 177.31 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.8 m -96.71 130.28 43.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.491 HD13 ' CD1' ' A' ' 98' ' ' LEU . 3.4 pt -116.09 140.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -146.32 166.43 26.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -57.93 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -178.57 -167.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -60.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.28 75.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 36.6 p90 -100.2 121.55 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.9 p -125.58 108.4 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -82.46 108.17 15.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.77 143.06 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.18 93.59 6.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 137' ' ' ILE . 2.1 tt -121.63 160.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.97 13.25 7.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' A' ' 33' ' ' ILE . 8.1 p-10 -79.87 -50.3 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER 163.33 -51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 169' ' ' VAL . 4.3 mt -60.95 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -91.03 -30.29 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -122.01 101.92 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.616 HD21 ' HD3' ' A' ' 76' ' ' LYS . 6.4 tt -85.52 126.45 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.537 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -127.59 128.84 46.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.837 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.8 m -119.05 136.15 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.446 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -125.63 130.84 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 61.0 mt -104.5 132.0 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -130.49 162.15 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.99 141.44 51.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -153.36 165.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.44 168.31 12.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -37.24 2.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.533 1.807 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER 77.47 152.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.584 ' H ' HD13 ' A' ' 150' ' ' LEU . 3.3 m -63.1 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 103' ' ' SER . 3.7 tptt -62.95 -26.81 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.678 ' O ' HG22 ' A' ' 64' ' ' THR . 1.5 mtpt 77.2 49.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -142.74 132.38 5.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 11.9 p90 -142.68 109.7 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -129.17 151.19 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.763 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.5 pt? -135.53 145.96 47.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.07 144.52 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 38.9 p90 -131.07 159.3 37.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.408 ' OE1' ' CD ' ' A' ' 54' ' ' GLN . 3.0 tt0 -137.71 127.41 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.64 ' OD2' ' HB3' ' A' ' 164' ' ' ALA . 0.8 OUTLIER -90.86 113.21 25.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 162' ' ' VAL . 14.0 p -77.42 95.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 33.81 53.01 0.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.385 1.053 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ALA . . . . . 0.64 ' HB3' ' OD2' ' A' ' 161' ' ' ASP . . . -133.5 165.23 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.3 t -100.65 119.87 39.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 108.353 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.982 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -147.9 141.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -123.21 157.26 33.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.92 113.74 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.721 HG22 ' CD1' ' A' ' 137' ' ' ILE . 33.5 t -85.71 -55.44 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.4 t -168.47 163.36 12.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.066 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 75' ' ' ILE . 28.9 m -150.59 104.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.89 146.66 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.912 HG13 HG13 ' A' ' 73' ' ' ILE . 21.2 t -123.49 135.14 64.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.696 ' CZ ' ' CB ' ' A' ' 72' ' ' TYR . 4.6 p90 -153.06 149.53 28.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' TYR . . . . . 0.587 ' CD1' ' HB ' ' A' ' 71' ' ' VAL . 4.4 m-30 -99.8 156.15 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -136.93 151.27 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.74 145.43 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.228 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.04 167.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -78.24 135.45 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 7' ' ' LEU . 6.2 mt -64.88 -53.6 44.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -166.37 135.17 2.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 1.2 m-20 -122.63 160.31 26.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.643 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -62.4 -27.65 69.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -97.7 -40.83 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.7 t -67.18 -17.58 64.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 10' ' ' SER . 7.6 p -63.3 -58.85 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.4 mt-30 84.61 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.551 ' H ' HG22 ' A' ' 13' ' ' VAL . . . -58.65 -125.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 22.1 mt-10 -61.29 -138.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.4 tp 97.43 -9.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' CD1' ' A' ' 19' ' ' TRP . . . -69.48 0.0 21.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 95.99 150.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -121.21 -40.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' O ' ' CE3' ' A' ' 19' ' ' TRP . . . -130.8 -145.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER 79.33 157.75 0.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -74.96 164.6 33.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -69.52 -43.76 72.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.7 mt-10 -151.38 159.67 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.99 -34.61 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.14 -109.87 3.43 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -67.16 140.18 57.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -144.68 150.91 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.53 119.66 37.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' A' ' 45' ' ' GLN . 13.4 m -133.74 127.54 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.5 m -89.56 126.58 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.9 171.9 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.17 134.83 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -177.37 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.08 -34.95 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -87.39 162.98 17.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.1 172.97 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 12.3 m 61.5 133.58 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 158.35 42.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.054 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.52 154.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -88.01 124.79 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 p -129.54 152.41 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.436 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 4.0 m-85 -118.84 135.93 54.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 167' ' ' ALA . 2.7 pt20 -142.75 153.17 43.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 HD21 ' A' ' 56' ' ' ASN . 6.4 p -137.14 118.16 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.26 122.57 22.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -162.34 104.47 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.747 HG11 ' CB ' ' A' ' 92' ' ' CYS . 10.2 t -138.02 84.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.3 mtp -140.47 -97.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.553 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 1.3 mt-10 -85.28 -59.34 0.32 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -75.01 148.68 35.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 p -80.08 -90.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 162' ' ' VAL . 0.8 OUTLIER -52.95 147.99 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.716 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -96.05 -49.06 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.73 HD21 HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 170.09 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.453 ' CD1' ' OE1' ' A' ' 160' ' ' GLN . 20.3 t90 -96.21 137.24 35.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 22' ' ' SER . 1.5 mt -136.8 144.49 43.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' CB ' ' HB2' ' A' ' 158' ' ' ALA . 3.0 ptp180 -135.68 157.28 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -130.76 93.99 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HA ' ' CB ' ' A' ' 156' ' ' TYR . 1.3 p-10 -85.96 -175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 70.42 54.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 108.041 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 156' ' ' TYR . 1.8 tt -148.62 140.93 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.68 131.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' CG ' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -132.32 158.05 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.23 151.6 51.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.84 -159.28 9.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.34 55.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.15 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 150.93 49.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.635 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -132.67 -169.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 71' ' ' VAL . 30.0 m-85 -139.95 130.39 25.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -124.89 127.88 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 115.6 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.531 HG12 HG23 ' A' ' 171' ' ' VAL . 2.0 mt -101.0 130.79 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.04 119.46 39.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 141' ' ' ASN . 24.6 p90 -140.45 161.12 38.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -126.94 127.63 45.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -107.79 143.5 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -88.89 147.0 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -80.67 124.55 29.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -30.12 50.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 108.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -21.92 66.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -93.88 -14.46 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -69.08 137.34 89.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.482 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.09 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.07 74.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 89' ' ' MET . 8.5 p -64.14 -43.31 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.545 ' HB3' HG22 ' A' ' 91' ' ' THR . 0.4 OUTLIER 74.65 -1.97 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.8 23.53 37.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 91' ' ' THR . 2.7 t -139.24 39.22 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.747 ' CB ' HG11 ' A' ' 49' ' ' VAL . 16.9 p -115.09 148.8 38.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.63 164.96 11.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.545 ' HB2' HD22 ' A' ' 79' ' ' LEU . 1.1 pt-20 -149.41 46.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.458 ' CG2' ' C ' ' A' ' 94' ' ' GLU . 6.7 p -150.62 168.14 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -143.41 151.89 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -103.2 138.59 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.033 HD11 HD13 ' A' ' 157' ' ' LEU . 0.7 OUTLIER -109.47 137.72 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -137.01 170.6 15.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 119' ' ' ILE . 38.9 p90 -150.3 162.33 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -152.8 124.7 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.523 ' OE1' HD21 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -126.37 151.82 47.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 t -148.7 165.54 31.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -102.08 172.99 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.306 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 3.1 m120 -57.21 -42.08 80.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER 162.35 131.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.34 -93.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 110' ' ' PHE . 3.3 pm0 -116.62 -33.39 4.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.64 88.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 108' ' ' GLU . 59.7 m-85 -71.35 143.95 50.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.53 -40.25 73.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 3.3 mtm105 -67.62 -51.24 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.06 -44.78 71.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -33.8 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.54 140.67 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -61.87 157.85 17.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 100' ' ' TYR . 17.2 t -139.97 119.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -83.51 142.59 30.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 100' ' ' TYR . 33.1 mm -84.64 -72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -169.04 178.25 4.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.4 m -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -114.61 143.36 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.59 164.82 29.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.85 92.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER 175.0 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 69.86 -60.94 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.8 OUTLIER -137.16 108.16 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 29.1 p90 -123.33 123.19 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.8 m -108.6 142.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.15 108.78 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.55 143.04 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.73 93.45 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.501 HG23 ' OD1' ' A' ' 135' ' ' ASP . 5.6 tt -121.91 160.24 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -128.04 19.53 5.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 133' ' ' ILE . 27.6 p-10 -80.4 -50.98 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.7 -77.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 137' ' ' ILE . 5.0 tp -76.8 108.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -92.74 4.24 54.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 101.48 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.1 mm? -85.63 133.36 34.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -97.76 124.46 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.14 123.82 41.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 13.9 mm-40 -115.92 129.84 56.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 68.0 mt -103.07 133.53 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 176.2 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -136.46 141.3 43.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -158.18 166.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.562 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 147.63 -47.51 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.0 Cg_endo -74.98 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.523 HD21 ' OE1' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -178.26 104.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 59.3 p -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -29.75 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 -159.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 39.21 67.74 0.56 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 102' ' ' GLU . 7.3 p90 -132.92 167.94 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.476 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 8.0 p90 -135.57 -178.72 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 1.033 HD13 HD11 ' A' ' 98' ' ' LEU . 1.2 pp -130.55 151.35 51.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.552 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . . . -134.52 158.29 44.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.894 ' CE2' HD11 ' A' ' 157' ' ' LEU . 96.3 m-85 -121.66 154.23 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.453 ' OE1' ' CD1' ' A' ' 57' ' ' TRP . 0.8 OUTLIER -134.7 129.61 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.616 ' OD1' HD12 ' A' ' 166' ' ' ILE . 0.2 OUTLIER -99.05 102.43 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 162' ' ' VAL . 1.1 p -99.36 95.23 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 47.31 47.18 21.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.73 164.65 28.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 76.0 m -121.13 100.39 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.698 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -133.61 152.83 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -124.36 155.99 37.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.5 mt -107.8 105.88 15.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.87 -56.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.1 t -174.37 173.15 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 171' ' ' VAL . 5.4 p -148.01 103.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.433 ' CG ' ' OD1' ' A' ' 9' ' ' ASP . 7.0 tmm_? -101.84 146.13 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 73' ' ' ILE . 72.3 t -107.18 154.07 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.416 ' CD1' ' NH1' ' A' ' 172' ' ' ARG . 1.5 t80 -152.66 163.1 40.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 176' ' ' LYS . 13.4 t80 -144.5 158.54 43.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 175' ' ' TYR . 1.3 tppt? -134.02 146.08 50.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.396 1.06 . . . . 0.0 109.272 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -89.16 153.35 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.62 159.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -83.04 135.25 34.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 65' ' ' ARG . 4.0 tt -80.92 -69.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -134.51 120.18 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 52.2 m-20 -123.53 146.99 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 171' ' ' VAL . 6.8 t -80.77 -31.13 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 41' ' ' ILE . 59.3 ttp85 -80.14 -45.23 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 4.1 t -57.83 -31.32 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' GLN . 10.3 p -85.55 -47.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER 73.2 -56.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -54.57 -163.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -53.8 163.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.55 -15.16 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 113.1 31.41 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.3 p-90 -41.36 130.12 2.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.425 HD11 ' OD1' ' A' ' 61' ' ' ASP . 2.7 mt -117.26 -56.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.608 ' O ' HD11 ' A' ' 58' ' ' LEU . . . -102.27 -179.66 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 p 157.56 148.7 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.45 4.18 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -67.8 -44.1 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mt-10 162.28 163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.21 -31.51 6.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.51 -89.95 1.32 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.1 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 25.8 mt-10 -138.45 144.52 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.43 117.41 34.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.578 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -134.15 137.37 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.6 p -89.68 126.95 35.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -130.51 171.66 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.39 127.61 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.21 -172.31 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.76 -31.98 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -96.68 166.51 11.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.12 -64.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -52.13 118.34 12.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.41 42.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.3 pt -124.16 150.85 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -78.52 125.47 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -116.63 -170.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HB2' HD23 ' A' ' 168' ' ' LEU . 52.9 m-85 -141.09 138.67 33.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.592 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 20.4 mp0 -125.91 134.11 51.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.4 p -137.65 108.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 23.0 t -130.77 129.12 42.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 171.43 103.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 163' ' ' GLY . 23.8 m -102.06 -22.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -26.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -81.31 176.62 3.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' SER . 18.0 Cg_endo -75.06 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' PRO . 14.0 p -30.31 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 160' ' ' GLN . 11.1 mt-30 -85.99 151.22 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -118.25 -38.44 3.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -147.86 149.91 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.378 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.446 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 21.8 t90 -119.73 134.43 55.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 108.03 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.608 HD11 ' O ' ' A' ' 21' ' ' ALA . 1.8 tp -138.92 139.93 38.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 162.15 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.75 143.77 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.0 OUTLIER 174.94 -177.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.75 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.1 mt -141.37 138.62 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.57 144.84 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.834 ' HG2' HD11 ' A' ' 7' ' ' LEU . 1.3 tpm_? -131.18 155.23 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.228 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.84 152.51 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -142.98 -179.07 19.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.27 71.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.461 ' HA ' ' CD ' ' A' ' 149' ' ' PRO . 4.0 tt0 -171.02 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -138.73 146.29 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 147' ' ' VAL . 14.6 m -133.59 -173.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 174' ' ' PHE . 5.4 m-85 -139.1 130.62 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.564 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -121.79 127.76 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 15.5 pt-20 -114.55 118.08 32.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -107.82 151.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 3.8 mttt -131.44 119.89 22.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 75' ' ' ILE . 11.1 m-85 -139.39 161.25 37.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -136.9 127.17 26.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.64 163.04 26.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -86.18 138.47 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.733 ' O ' HD13 ' A' ' 85' ' ' LEU . 39.9 m-20 -66.1 127.4 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -85.11 -26.85 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.51 -24.85 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -92.85 -11.57 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.733 HD13 ' O ' ' A' ' 81' ' ' ASP . 1.8 mp -73.9 116.39 51.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.7 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.91 57.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.618 HG22 ' SG ' ' A' ' 82' ' ' CYS . 0.9 OUTLIER -45.69 -51.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.544 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 5.0 ttt 84.51 -42.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.72 -24.4 13.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 89' ' ' MET . 1.7 t -84.17 21.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.3 126.96 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER -103.73 166.79 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.442 ' C ' HG23 ' A' ' 95' ' ' THR . 8.6 pt-20 -143.63 35.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 123' ' ' ALA . 62.0 p -152.1 162.0 41.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 166' ' ' ILE . 31.6 m-85 -129.3 164.96 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 62.4 m-80 -129.29 119.63 24.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 140.37 39.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.247 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 97' ' ' ASN . 50.4 m-85 -136.37 160.31 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.8 p90 -135.55 167.39 21.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -160.02 115.28 2.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.02 135.21 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.6 t -165.72 170.1 14.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -85.39 -179.72 7.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.31 -40.42 93.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.65 141.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -57.06 171.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -88.56 170.66 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -161.76 -60.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -70.67 142.65 51.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.1 pt -78.04 -31.07 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.197 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -66.73 -43.03 85.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.72 64.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -57.08 -45.66 83.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.61 113.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -76.15 165.33 25.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 40.4 t -120.46 124.54 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -56.59 140.34 46.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ILE . 16.3 mm -82.91 -67.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.01 160.97 10.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 m -90.96 123.08 34.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.405 ' CG1' ' HB2' ' A' ' 96' ' ' PHE . 4.0 pt -115.7 144.52 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.569 ' HB2' HG22 ' A' ' 95' ' ' THR . . . -148.01 165.47 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.96 93.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.6 OUTLIER 174.64 -164.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 3.9 tt0 67.97 -61.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.5 OUTLIER -117.34 95.17 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 28.5 p90 -118.9 122.91 43.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 66.2 p -132.54 122.42 24.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.82 110.24 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.0 143.12 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.56 96.07 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -122.22 153.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.39 -32.19 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.3 -54.6 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.391 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 172.51 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG21 ' A' ' 133' ' ' ILE . 2.1 mt 74.7 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.77 -23.56 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -112.1 103.43 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.6 mm? -85.02 117.48 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.5 OUTLIER -111.54 125.15 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.4 m -122.76 132.78 54.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.085 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.21 131.11 41.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.97 144.27 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.75 171.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.25 142.72 44.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.1 t -145.83 152.63 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.26 169.96 16.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.12 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.07 140.28 17.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.1 p -62.04 -40.33 95.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.0 -36.03 79.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 65.83 120.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 144.37 76.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.624 ' CE2' HD21 ' A' ' 157' ' ' LEU . 6.3 p90 -93.17 130.58 38.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.54 140.67 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 155' ' ' PHE . 1.9 mm? -105.93 141.45 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.71 134.7 28.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 p90 -145.58 145.1 30.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 54' ' ' GLN . 17.1 tt0 -130.17 138.66 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.55 119.15 32.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 163' ' ' GLY . 0.7 OUTLIER -80.77 84.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.749 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 29.07 65.94 0.1 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -136.36 164.53 27.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 84.6 m -103.8 99.91 9.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -141.42 151.52 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -129.32 153.35 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 77' ' ' PHE . 2.2 mm? -87.37 115.8 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.437 ' HB ' ' C ' ' A' ' 76' ' ' LYS . 43.1 t -85.32 -55.92 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' SER . . . . . 0.401 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 1.4 t -166.31 164.8 17.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 171' ' ' VAL . 2.3 m -150.24 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 3.5 mtp180 -112.39 161.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.564 HG13 HG13 ' A' ' 73' ' ' ILE . 91.9 t -145.35 139.2 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 174' ' ' PHE . 1.2 p90 -152.76 169.04 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -125.0 150.27 46.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.28 121.18 17.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 151.28 23.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -102.59 158.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -75.92 139.56 41.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 174' ' ' PHE . 4.3 mm? -70.64 -58.87 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.74 115.22 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.379 1.049 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 49.3 t0 -110.74 151.2 28.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.9 m -90.66 -31.16 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.51 -45.4 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -56.5 -33.16 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.492 ' CG2' HD21 ' A' ' 17' ' ' LEU . 9.5 m -89.83 -40.16 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 75.47 -56.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.14 171.97 5.99 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -57.65 157.52 7.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 13' ' ' VAL . 4.4 mm? -112.5 -14.6 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 35.36 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' ALA . 2.2 p-90 -75.16 133.39 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 20' ' ' ILE . 4.7 mt -134.93 57.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 1.134 ' HB3' HD13 ' A' ' 58' ' ' LEU . . . -138.49 135.87 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 5.7 p 179.89 136.55 0.28 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.3 mm? -76.09 -41.24 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.6 mt-10 163.35 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.37 26.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.28 -115.09 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.83 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -64.15 122.64 17.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 32.4 mt-10 -124.58 145.61 49.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.12 115.04 28.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -132.79 127.36 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -86.13 137.33 32.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG22 ' OD1' ' A' ' 135' ' ' ASP . 1.1 pp -120.47 170.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 ttp -87.04 127.63 35.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -107.51 179.57 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -21.61 24.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.19 169.55 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -65.29 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -48.68 115.71 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 156.61 43.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -111.67 153.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 16' ' ' GLU . 7.8 ptp180 -87.05 125.28 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.82 163.82 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 6.3 m-85 -117.59 137.18 52.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.56 144.87 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.86 150.08 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -164.05 105.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.56 104.13 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' THR . 7.0 p -137.5 125.63 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.383 1.052 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -173.34 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 179.2 -58.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 p -111.4 94.9 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 161' ' ' ASP . 24.1 mt-30 -85.03 131.11 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.8 87.31 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.217 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -65.84 122.32 17.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.662 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.1 t90 -74.75 123.24 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.134 HD13 ' HB3' ' A' ' 21' ' ' ALA . 1.2 mm? -131.51 131.59 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' NH2' ' CE2' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -110.06 151.1 27.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -131.83 164.35 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' THR . 3.1 t70 82.37 162.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -142.62 -60.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -113.93 137.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' HD1' ' A' ' 155' ' ' PHE . 58.8 m -76.43 145.42 39.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -115.29 160.03 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.24 172.96 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.83 166.55 27.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.0 -90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -116.36 -37.58 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 176' ' ' LYS . 0.0 OUTLIER -136.6 155.45 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 m -132.18 -177.78 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -121.99 130.8 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.782 HD13 ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -135.74 143.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.782 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 mt-10 -134.9 150.43 50.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.505 HG23 HG13 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -135.13 139.2 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.75 118.01 32.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -140.74 159.36 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 140' ' ' LEU . 6.0 p -130.68 125.32 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.802 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -125.09 153.53 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.369 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -84.51 127.84 34.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.22 123.75 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.29 -21.62 63.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -87.04 -20.98 26.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.853 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -67.82 159.43 79.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.853 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.98 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.443 1.76 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 88' ' ' VAL . . . -66.21 -48.69 62.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER 87.29 -20.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.15 -58.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.07 28.09 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 91' ' ' THR . 2.2 t -147.13 43.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.9 131.32 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -106.05 155.73 19.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.03 42.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 25.5 p -139.03 137.11 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -120.83 138.47 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.02 145.62 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.88 HD21 HD11 ' A' ' 122' ' ' ILE . 2.2 mt -117.5 142.31 47.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -138.15 157.16 46.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -100.01 168.1 10.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 87.8 t80 -162.54 101.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.177 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.26 154.74 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.34 162.02 40.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -99.23 154.13 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.03 -25.13 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.4 88.86 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.97 116.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.46 175.24 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 56.78 165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -73.04 137.83 45.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 pp -85.25 -37.39 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -57.98 -51.82 68.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -51.37 70.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 6.8 m-80 -57.56 -51.48 69.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 10.5 pt20 48.34 -176.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -81.93 164.58 21.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.71 113.61 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -59.04 128.1 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 100' ' ' TYR . 2.0 mm -86.5 -70.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.46 ' O ' HD12 ' A' ' 98' ' ' LEU . 2.6 t0 -169.88 178.86 3.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.2 m -108.08 128.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.88 HD11 HD21 ' A' ' 98' ' ' LEU . 5.4 pt -117.04 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.59 166.27 23.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -73.03 170.56 14.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 2.6 t70 89.13 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' ASP . 45.5 mm-40 -37.96 -41.38 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 m -149.24 61.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 4.8 p90 -66.47 122.26 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.8 m -129.37 145.41 51.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -107.04 107.81 19.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 138' ' ' MET . 10.2 p -120.77 144.5 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.16 92.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -122.72 150.17 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.6 8.81 10.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.444 ' OD1' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.77 -54.34 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 137' ' ' ILE . 1.6 mtm-85 163.07 157.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.479 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 4.7 tp 42.66 94.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' VAL . 2.0 ttm -83.82 15.2 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.99 100.95 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.593 ' HA ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -85.58 138.29 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.79 125.11 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 m -123.05 139.48 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -129.27 130.1 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -97.13 124.67 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.756 ' HD3' HD13 ' A' ' 98' ' ' LEU . 2.2 ttm105 -129.65 165.47 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.375 1.047 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.546 ' O ' HG13 ' A' ' 147' ' ' VAL . 2.9 p30 -136.4 161.81 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 146' ' ' ASP . 1.1 m -156.13 154.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -101.61 147.51 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.598 1.186 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.48 12.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 150' ' ' LEU . 3.2 mm? -77.29 145.78 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -45.24 94.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -26.35 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt 79.03 109.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 151.12 58.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.724 ' HD1' HG23 ' A' ' 64' ' ' THR . 1.8 p90 -89.94 127.25 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -129.68 134.08 47.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.883 HD22 ' H ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -109.23 144.65 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.883 ' H ' HD22 ' A' ' 157' ' ' LEU . . . -141.46 151.65 43.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 p90 -130.56 156.14 45.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -131.75 122.26 25.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 54' ' ' GLN . 19.2 t70 -100.9 133.25 45.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' GLY . 1.2 m -133.25 126.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 36.68 60.3 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 141.71 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.04 101.36 11.13 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -137.26 155.05 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.02 150.24 50.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 168' ' ' LEU . 2.8 mm? -96.12 113.11 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.571 HG21 HG23 ' A' ' 78' ' ' THR . 40.1 t -83.94 -55.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.6 m -168.29 -176.99 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.505 HG13 HG23 ' A' ' 75' ' ' ILE . 19.4 t -143.62 156.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -139.6 154.81 47.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.8 140.36 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.922 ' HA ' HD23 ' A' ' 7' ' ' LEU . 32.0 t80 -152.39 168.43 25.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' TYR . . . . . 0.735 ' HD2' HD21 ' A' ' 7' ' ' LEU . 1.2 p90 -129.5 167.89 17.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -137.21 155.95 48.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 174' ' ' PHE . 4.1 tp10 -126.58 156.93 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -106.68 159.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -102.25 143.18 32.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -73.19 -66.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 125.49 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.789 ' O ' HG13 ' A' ' 13' ' ' VAL . 39.8 t0 -126.85 146.86 50.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.826 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.58 -31.55 69.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG21 ' A' ' 41' ' ' ILE . 1.6 ttp180 -79.94 -37.29 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 32.3 t -63.9 -28.86 70.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 9' ' ' ASP . 5.7 m -89.27 -39.54 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 74.19 -57.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.26 -155.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -56.2 142.2 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.826 HD22 ' HB2' ' A' ' 10' ' ' SER . 14.1 tp -106.06 -14.78 15.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.79 8.26 34.88 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.41 ' CD1' ' OH ' ' A' ' 44' ' ' TYR . 64.6 p-90 -60.59 127.13 30.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -138.24 54.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -135.41 161.26 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 3.5 p 164.76 114.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.9 mp -66.17 -44.41 84.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.1 mt-10 160.51 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.96 -32.65 4.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.825 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -66.34 -119.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -65.7 140.11 58.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 17.7 mt-10 -141.23 150.26 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.34 124.35 37.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.631 HG11 ' NE2' ' A' ' 45' ' ' GLN . 3.8 p -135.0 138.3 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 m -104.45 124.72 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.57 172.3 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -85.78 144.11 27.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.06 -179.57 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 6.1 pt-20 -56.76 -33.19 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -94.49 169.63 10.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.218 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.72 164.63 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.0 m 60.98 125.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 34' ' ' MET . 18.1 Cg_endo -75.08 156.41 42.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -123.9 145.96 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -72.3 125.89 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -120.72 178.91 4.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 17.0 m-85 -143.36 138.17 29.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.631 ' NE2' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -138.87 150.69 46.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' C ' ' A' ' 27' ' ' GLY . 8.5 p -136.95 115.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -132.78 126.74 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -173.2 103.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.73 106.42 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' GLU . 2.1 mtm 169.56 38.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.575 ' N ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 mt-10 37.05 55.71 3.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -74.92 0.8 8.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m 47.04 45.75 15.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.483 ' CG ' ' HB2' ' A' ' 52' ' ' PRO . 2.3 mt-30 -87.19 137.22 32.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -118.2 91.46 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -83.73 116.84 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.534 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 26.8 t90 -104.4 115.99 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' A' ' 158' ' ' ALA . 3.0 mt -134.54 124.54 25.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 7.5 ptm180 -129.62 144.02 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.575 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 52.3 m -123.33 93.7 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 156' ' ' TYR . 2.1 t70 -142.91 -78.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 83.34 -72.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.04 148.56 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -129.79 165.97 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 173.69 8.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 155' ' ' PHE . . . -167.54 -176.13 38.0 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.65 -155.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -37.73 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.46 44.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -140.83 168.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.551 ' N ' HG23 ' A' ' 71' ' ' VAL . 12.8 m-85 -134.55 144.24 47.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 72' ' ' TYR . 1.3 mp -135.13 130.85 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 5.9 pt-20 -117.59 109.78 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 HG23 ' A' ' 171' ' ' VAL . 0.9 OUTLIER -100.67 130.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -113.75 117.86 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 141' ' ' ASN . 12.7 p90 -141.3 161.57 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -122.78 127.18 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 80' ' ' ARG . 3.4 tt -108.83 133.09 53.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.818 ' N ' HD23 ' A' ' 79' ' ' LEU . 20.5 mmt85 -77.87 113.15 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.7 123.87 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.495 ' O ' HG11 ' A' ' 88' ' ' VAL . 11.3 m -70.02 -35.56 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -22.32 66.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -17.52 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 122.81 69.99 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.23 9.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.19 78.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 82' ' ' CYS . 4.9 p -58.59 -42.81 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 91' ' ' THR . 5.9 mmt 63.72 153.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.7 41.74 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 89' ' ' MET . 6.5 t -134.15 31.94 3.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.9 138.72 49.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 134.23 33.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.23 33.71 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.5 p -136.55 127.0 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -105.97 133.51 50.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 1.4 m120 -91.07 130.24 36.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 122' ' ' ILE . 2.0 tp -114.61 121.27 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 97' ' ' ASN . 73.7 m-85 -121.6 149.06 43.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CD1' HG13 ' A' ' 119' ' ' ILE . 3.5 m-85 -124.63 162.63 23.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -161.16 129.22 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.47 134.21 52.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 153' ' ' LYS . 0.6 OUTLIER -166.53 155.18 10.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -104.4 167.03 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -39.94 77.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.72 78.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 165.35 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 48.44 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -66.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.31 132.88 38.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -84.31 -26.92 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.99 -42.79 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -54.74 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -66.01 -51.59 56.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 55.98 170.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -81.02 167.53 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.5 t -122.38 122.66 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -83.59 127.81 34.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.596 HG13 ' CD1' ' A' ' 100' ' ' TYR . 9.2 mm -86.88 -80.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -166.26 177.42 6.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 75.0 m -101.69 130.26 48.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.512 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -114.12 140.56 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -142.87 168.5 19.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . . . -55.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 127' ' ' SER . 3.1 t0 179.91 -159.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.17 . . . . 0.0 109.245 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 68.76 -61.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' ASP . 2.8 t -148.4 80.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 128' ' ' PHE . 30.6 p90 -116.86 126.99 53.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.4 m -121.04 143.31 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -101.13 109.12 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.59 141.69 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -83.52 93.83 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -122.12 146.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.63 13.21 46.79 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.73 -54.01 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 168.37 -67.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 1.0 OUTLIER -52.91 109.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.2 ttt -96.15 -31.88 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 100.31 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.12 135.54 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -117.23 129.78 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.04 126.99 53.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -137.67 130.63 30.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.7 mt -121.42 148.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.51 161.92 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 2.1 p-10 -128.84 159.34 36.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.69 HG22 ' HD3' ' A' ' 149' ' ' PRO . 2.9 p -158.32 164.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.72 65.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.717 ' C ' HD23 ' A' ' 150' ' ' LEU . 18.1 Cg_endo -75.1 -79.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.717 HD23 ' C ' ' A' ' 149' ' ' PRO . 0.4 OUTLIER -112.17 124.75 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 88.1 p -71.11 -39.54 72.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -28.37 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.654 ' HG3' HD12 ' A' ' 150' ' ' LEU . 6.9 mmmt -89.4 162.48 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 155' ' ' PHE . . . -78.96 -163.53 25.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.592 1.183 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 67' ' ' GLY . 23.3 m-85 -142.22 121.14 12.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 60' ' ' THR . 4.4 m-85 -158.04 166.09 33.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 pt? -149.37 150.16 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -123.23 158.6 30.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 161' ' ' ASP . 7.2 t80 -120.2 156.84 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.486 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 0.0 OUTLIER -139.71 133.56 30.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 159' ' ' PHE . 20.7 t70 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 162' ' ' VAL . 5.2 m -137.28 98.76 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 42.0 63.87 1.64 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -139.79 163.34 32.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 98.7 m -109.64 99.13 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.97 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -148.32 133.47 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -111.37 152.5 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.33 105.85 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 76' ' ' LYS . 12.7 t -75.67 -56.6 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.5 t -168.55 168.82 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.585 HG23 HG23 ' A' ' 75' ' ' ILE . 2.8 p -150.43 113.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.463 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -109.1 162.44 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.358 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.5 156.27 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 4' ' ' GLU . 20.9 t80 -149.67 169.47 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -147.84 175.13 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.06 145.88 48.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 174' ' ' PHE . 0.5 OUTLIER -95.82 155.01 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.03 151.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -92.85 148.19 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 4.8 tp -65.72 -50.21 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CB ' HD11 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -165.83 139.69 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 33.2 t0 -115.45 159.37 21.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.474 ' C ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.72 -27.43 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD2' HG21 ' A' ' 41' ' ' ILE . 11.0 ttp-105 -94.76 -46.64 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.369 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 5.3 t -57.67 -32.01 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 17' ' ' LEU . 12.7 p -65.33 -49.42 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' N ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-30 69.13 -58.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -51.62 -173.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.29 148.18 9.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 13' ' ' VAL . 6.2 mp -114.52 -12.64 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 89.65 24.7 29.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' A' ' 17' ' ' LEU . 25.6 m-90 -41.59 126.79 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -150.78 29.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . . . -121.45 151.25 40.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.8 p 158.18 113.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.11 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.4 mm? -66.04 -43.5 87.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mt-10 163.73 137.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.97 -36.37 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.601 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -60.45 -118.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.764 ' HE1' HD12 ' A' ' 168' ' ' LEU . 0.4 OUTLIER -64.89 134.1 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 3.8 mt-10 -145.23 154.66 42.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 125.8 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG11 ' CD ' ' A' ' 45' ' ' GLN . 3.7 p -135.41 135.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.1 m -96.72 125.88 41.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.82 171.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.0 ttt -82.1 139.6 34.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -111.63 -176.26 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.375 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -19.08 11.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -101.19 172.95 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.17 -65.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t -55.35 131.95 69.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.93 160.27 40.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.563 HG21 ' HD2' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -127.59 141.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -70.06 129.06 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -126.09 155.33 41.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.608 ' CD1' ' CD2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -118.7 136.05 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CD ' HG11 ' A' ' 31' ' ' VAL . 1.6 pt20 -148.61 155.11 40.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 27' ' ' GLY . 9.0 p -136.67 116.52 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 31.8 t -126.38 116.51 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.389 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -157.64 103.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.5 t -140.5 89.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.1 ttt -118.68 -35.38 3.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.8 mt-10 165.34 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.94 127.89 11.09 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.419 1.747 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.454 ' HB3' ' CG2' ' A' ' 162' ' ' VAL . 1.2 m -73.86 105.65 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.059 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.56 149.79 29.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.78 95.58 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.448 ' OD1' HG21 ' A' ' 46' ' ' VAL . 15.5 m-80 -88.02 118.15 27.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -80.69 125.0 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 159' ' ' PHE . 38.6 tp -138.67 125.6 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.221 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 117.23 11.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -134.04 145.91 49.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.5 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.1 OUTLIER 173.51 144.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.82 37.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 107.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 173' ' ' VAL . 8.3 mm -138.39 167.14 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -157.25 140.82 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -132.21 138.05 47.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 10.5 pt-20 -130.52 176.85 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.79 -87.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.5 158.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -103.38 -37.72 7.51 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 10.3 mtm-85 -107.38 150.61 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.9 m -136.6 179.22 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.554 ' C ' HD12 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -142.32 132.06 24.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.554 HD12 ' C ' ' A' ' 72' ' ' TYR . 3.7 mp -137.54 151.97 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' C ' HD13 ' A' ' 75' ' ' ILE . 2.8 mt-10 -135.96 137.61 41.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.791 HG23 HG12 ' A' ' 171' ' ' VAL . 0.4 OUTLIER -120.37 131.29 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 142' ' ' THR . 1.2 mttt -110.08 119.26 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 141' ' ' ASN . 13.6 p90 -139.79 162.24 35.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.871 ' HB ' HG21 ' A' ' 137' ' ' ILE . 1.5 p -124.74 127.45 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -106.21 141.81 36.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -79.01 148.92 32.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 54.6 m-20 -73.95 121.24 20.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.52 -22.67 43.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.278 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.63 -21.91 66.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -18.43 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -65.93 119.38 60.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.02 73.14 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 113.6 29.24 2.97 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -40.09 -30.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 87' ' ' GLY . 9.5 mmt 62.63 -99.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.41 24.59 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -105.45 15.19 27.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -114.04 126.07 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.356 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 164.94 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.61 43.0 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 48.6 p -129.87 144.15 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -132.69 154.04 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -107.68 147.18 31.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD11 HD13 ' A' ' 122' ' ' ILE . 21.9 mt -108.69 143.53 37.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE1' ' N ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -144.48 161.9 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.947 ' CD1' HD11 ' A' ' 119' ' ' ILE . 9.2 p90 -159.73 160.47 34.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -162.58 116.51 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -156.83 135.62 11.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.16 171.65 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -74.18 177.07 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -54.97 -39.34 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.3 155.4 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.07 109.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 2.3 tt0 178.12 167.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER 85.58 -43.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.52 142.45 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.0 pt -59.62 -35.07 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -63.52 -52.62 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -45.95 91.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.1 -44.01 96.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -47.28 131.12 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.377 1.048 . . . . 0.0 110.264 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -76.23 -174.91 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 100' ' ' TYR . 4.1 t -139.99 115.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.609 ' N ' ' CE1' ' A' ' 99' ' ' TYR . 11.7 tttt -66.67 134.91 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.947 HD11 ' CD1' ' A' ' 100' ' ' TYR . 22.3 mm -86.64 -65.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.79 178.9 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.4 m -103.86 127.92 51.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.642 HG22 ' HG3' ' A' ' 143' ' ' GLU . 0.6 OUTLIER -107.45 142.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.21 164.9 26.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -66.65 175.79 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.475 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 1.3 m-20 79.61 -155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 71.52 -63.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.0 81.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 125' ' ' ASP . 1.0 OUTLIER -94.32 122.98 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.9 p -128.87 118.6 22.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.57 108.06 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.31 143.56 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.66 93.15 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -97.38 148.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -119.09 -18.0 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -75.99 -57.61 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.517 ' HB3' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER 169.46 177.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.871 HG21 ' HB ' ' A' ' 78' ' ' THR . 2.5 mp 49.62 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 ttt -93.18 16.58 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -121.45 100.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.3 mm? -86.41 140.74 29.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -129.0 123.63 32.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.8 m -123.88 134.31 53.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.7 tm-20 -119.0 131.28 55.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.73 116.75 35.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' ILE . 7.5 mmm180 -114.15 141.75 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -137.13 157.13 47.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.5 t -126.81 166.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 -71.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 155' ' ' PHE . 0.1 OUTLIER 175.88 58.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -35.26 76.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -24.0 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 77.14 149.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.423 ' O ' HD21 ' A' ' 150' ' ' LEU . . . 63.95 135.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 155' ' ' PHE . 2.6 p90 -142.62 141.85 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -99.91 145.85 27.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 157' ' ' LEU . 1.8 mm? -102.52 141.06 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . . . -141.78 134.7 28.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.901 ' HB2' HD23 ' A' ' 58' ' ' LEU . 57.2 m-85 -125.29 146.79 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.44 114.5 13.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ASP . . . . . 0.445 ' OD1' HD12 ' A' ' 166' ' ' ILE . 34.0 m-20 -96.04 136.91 35.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 162' ' ' VAL . 8.1 p -137.15 116.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 37.47 62.2 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 163.11 39.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 99.4 m -123.28 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -136.91 143.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' OG1' ' A' ' 78' ' ' THR . . . -117.48 153.09 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.764 HD12 ' HE1' ' A' ' 28' ' ' TRP . 6.8 mt -101.69 105.7 16.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 78' ' ' THR . 55.3 t -77.99 -56.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -167.53 167.12 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.078 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.791 HG12 HG23 ' A' ' 75' ' ' ILE . 5.9 m -140.99 115.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' ILE . 11.1 mtp180 -102.65 155.38 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 63' ' ' ILE . 90.4 t -129.59 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 t80 -152.26 169.56 22.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 65' ' ' ARG . 29.4 p90 -123.4 175.09 6.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -134.23 98.72 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 154.91 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.643 1.214 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.1 161.8 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.612 HG21 ' OD2' ' A' ' 9' ' ' ASP . 9.8 t -77.06 148.95 35.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 173' ' ' VAL . 2.0 tt -77.28 -60.18 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -149.84 145.89 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -128.45 146.39 50.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 p -84.4 -31.67 24.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -39.7 81.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -56.26 -29.49 61.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.927 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' GLN . 1.1 m -89.77 -41.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 13' ' ' VAL . 15.3 pt20 45.46 106.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.92 -142.89 14.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.34 121.69 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.2 mm? -102.06 -11.82 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.11 51.76 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 p-90 -66.92 149.41 50.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tt -132.18 63.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -124.84 136.89 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 2.6 t 159.13 112.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.94 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -64.23 -37.21 86.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.3 mt-10 161.46 138.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.05 -29.82 9.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.783 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -70.49 -113.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.793 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -65.12 140.29 58.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -145.67 150.1 35.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' CH2' ' A' ' 28' ' ' TRP . 39.6 mt-10 -95.9 111.01 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.49 132.32 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.4 p -97.03 126.89 42.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 171.15 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.8 134.32 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' ILE . 1.1 p-10 -102.8 169.77 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -54.45 -21.33 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.01 167.69 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.24 156.28 22.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 29.4 m 61.72 133.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 161.1 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.413 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.6 pt -121.92 149.11 25.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 125.34 28.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.4 p -123.01 157.25 33.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -118.31 136.96 53.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.753 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -141.72 143.83 33.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.793 HG23 ' N ' ' A' ' 28' ' ' TRP . 13.8 p -133.42 106.69 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 164' ' ' ALA . 5.9 t -132.09 113.34 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 108.343 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.61 103.45 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 ' CB ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -115.7 -12.38 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -65.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 54' ' ' GLN . 3.7 mm-40 -53.95 153.94 8.14 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.9 p 39.33 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 8.1 mm100 -78.15 148.48 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -117.17 93.68 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -101.62 121.3 41.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.751 ' C ' HD12 ' A' ' 58' ' ' LEU . 18.3 t90 -78.74 116.02 18.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.751 HD12 ' C ' ' A' ' 57' ' ' TRP . 10.1 mp -133.88 140.23 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 157' ' ' LEU . 7.6 mpt_? 66.47 131.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 157' ' ' LEU . 2.8 m -138.42 -74.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.654 ' CB ' ' CD2' ' A' ' 156' ' ' TYR . 14.2 p-10 -124.43 -165.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -167.9 -157.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 108.002 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.422 ' O ' ' CB ' ' A' ' 155' ' ' PHE . 1.5 tt -117.02 152.16 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 t -72.42 145.68 47.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -127.1 164.57 21.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.51 -177.91 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.3 -161.2 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.75 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -38.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -174.27 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 147' ' ' VAL . 3.4 m -130.84 -167.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 174' ' ' PHE . 4.6 m-85 -144.6 130.33 19.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 144' ' ' ILE . 1.4 mt -122.86 148.61 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 10.3 pt-20 -128.13 119.95 26.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.026 HG23 HG12 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -111.42 128.31 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -112.59 118.49 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 141' ' ' ASN . 14.9 p90 -140.44 161.75 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.852 HG21 HG22 ' A' ' 137' ' ' ILE . 2.3 m -120.8 146.28 46.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.448 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -120.74 139.79 52.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.232 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.803 ' HD3' HD21 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -93.39 127.8 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.3 p30 -61.93 139.52 58.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.32 -21.59 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -77.99 -24.08 48.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -91.94 -16.97 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.803 HD21 ' HD3' ' A' ' 80' ' ' ARG . 1.3 mp -75.47 115.62 47.21 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.93 79.73 0.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 12.2 p -114.35 40.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 63.97 -64.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.035 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.88 21.25 4.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.392 1.058 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -128.63 50.02 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.544 ' CB ' HG11 ' A' ' 49' ' ' VAL . 22.5 p -115.08 131.67 56.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.9 165.72 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -135.57 26.38 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.2 p -140.74 156.44 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 166' ' ' ILE . 40.5 m-85 -141.36 157.6 44.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.54 122.04 46.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -109.2 145.23 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.825 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 23.1 m-85 -144.2 165.42 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.42 ' CZ ' HD21 ' A' ' 157' ' ' LEU . 0.6 OUTLIER -127.56 170.67 12.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -155.31 149.4 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -153.3 151.76 30.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 p -150.54 151.79 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.53 174.7 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.01 -40.88 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -58.1 -62.97 1.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.72 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 34.8 mm-40 -90.12 -95.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -159.6 30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 108' ' ' GLU . 97.1 m-85 -72.47 144.6 48.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.0 -29.28 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -33.58 75.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -34.16 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.55 -44.47 86.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.61 118.43 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -68.97 175.87 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.0 t -114.77 110.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -73.02 134.29 44.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.689 HG23 ' HE ' ' A' ' 145' ' ' ARG . 48.3 mm -104.93 -96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 119' ' ' ILE . 3.3 t0 -169.02 178.23 4.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 1.0 OUTLIER -98.67 134.17 41.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.463 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -117.12 141.32 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.8 165.87 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 128' ' ' PHE . . . -58.28 108.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER 167.21 -37.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 73.1 mm-40 -37.1 -44.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.97 60.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -67.56 120.9 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.7 m -123.82 144.24 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.14 107.6 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.406 HG12 HD23 ' A' ' 140' ' ' LEU . 5.9 p -116.66 143.57 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.5 91.85 8.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 136' ' ' ARG . 1.5 tt -123.98 149.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.33 -6.14 31.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.11 -54.58 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.406 ' O ' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER 166.65 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.852 HG22 HG21 ' A' ' 78' ' ' THR . 21.9 pt 43.7 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -30.07 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -110.57 100.95 9.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.371 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.2 mm? -86.3 131.72 34.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -127.18 127.77 45.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.7 m -123.86 135.79 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 75' ' ' ILE . 8.9 tm-20 -124.83 131.69 53.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 74.5 mt -109.82 145.05 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.689 ' HE ' HG23 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -144.2 164.11 31.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.564 ' O ' HG13 ' A' ' 147' ' ' VAL . 0.0 OUTLIER -127.39 150.99 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.24 165.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 157.21 -49.18 0.45 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.0 118.98 5.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 150' ' ' LEU . 0.0 OUTLIER -172.16 116.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -68.24 -41.25 81.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -34.83 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 131.76 172.3 13.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.122 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -140.87 110.76 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 111.036 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.654 ' CD2' ' CB ' ' A' ' 61' ' ' ASP . 21.5 m-85 -139.32 158.88 43.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 156' ' ' TYR . 1.7 mm? -128.27 149.11 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -142.75 134.9 27.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 160' ' ' GLN . 6.4 t80 -145.6 153.27 40.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 1.1 tp60 -139.63 121.1 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.44 131.92 53.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 162' ' ' VAL . 13.4 m -137.08 105.82 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 48.7 66.59 2.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . -142.77 166.08 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 79.3 m -132.46 100.57 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.359 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 1.2 pp -144.63 153.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . . . -127.37 156.98 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 110.77 23.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.6 t -78.64 -55.34 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 4.5 t -169.69 167.4 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 1.026 HG12 HG23 ' A' ' 75' ' ' ILE . 9.7 m -150.24 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 4.9 mtt180 -113.3 161.98 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 7' ' ' LEU . 86.7 t -115.82 164.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.472 ' N ' HG12 ' A' ' 173' ' ' VAL . 24.4 t80 -152.5 169.21 23.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -135.43 166.26 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -132.28 154.59 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.24 155.49 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 6' ' ' THR . 8.6 p -104.77 168.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 5' ' ' VAL . 70.0 p -104.54 154.21 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.682 HD23 ' HG2' ' A' ' 65' ' ' ARG . 1.9 mp -64.9 -53.81 40.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -161.93 138.08 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.16 142.62 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG12 ' A' ' 13' ' ' VAL . 10.7 p -78.2 -31.87 49.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -33.96 75.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -55.83 -35.53 66.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 17' ' ' LEU . 15.0 p -87.92 -30.97 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' GLY . 46.3 mt-30 68.35 -65.56 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.621 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -42.91 167.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.49 151.79 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 13' ' ' VAL . 4.0 mm? -115.28 -13.14 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.34 37.26 0.8 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.419 1.074 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.531 ' CE3' ' CH2' ' A' ' 28' ' ' TRP . 53.0 p-90 -65.33 127.53 32.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -134.16 63.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.58 154.33 48.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.4 t 160.4 112.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -157.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -64.24 -38.75 92.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mt-10 158.94 128.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.97 -45.38 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.18 -121.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE2' ' HB3' ' A' ' 44' ' ' TYR . 18.3 t90 -64.61 124.13 21.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -141.94 148.24 38.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' OE1' ' CH2' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -91.15 110.98 22.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.07 136.98 51.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.4 p -96.74 136.27 37.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.65 171.02 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.82 126.7 34.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -108.34 -179.31 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -20.78 59.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 169.75 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.89 -69.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 9.1 t -59.69 144.69 84.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.05 163.66 34.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.2 pt -120.08 132.7 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 125.23 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.405 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 2.9 p -129.8 173.43 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -118.72 136.76 53.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HG3' ' HB2' ' A' ' 167' ' ' ALA . 0.7 OUTLIER -125.85 149.14 48.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.522 HG22 ' CA ' ' A' ' 28' ' ' TRP . 4.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 t -175.14 101.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' O ' ' HA2' ' A' ' 163' ' ' GLY . 1.3 m-20 -149.51 103.28 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 163' ' ' GLY . 3.6 m -133.54 37.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 ttt -106.97 -60.41 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 165.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 106.39 2.27 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p 53.42 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 140.59 35.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.19 86.47 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 160' ' ' GLN . 1.9 t30 -102.57 116.34 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -113.2 126.24 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.194 HD12 ' CZ ' ' A' ' 159' ' ' PHE . 1.9 tm? -139.65 126.51 20.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.48 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -112.89 148.81 34.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -111.2 101.35 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 156' ' ' TYR . 2.3 p30 -50.69 163.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.871 ' CZ2' HG21 ' A' ' 173' ' ' VAL . 17.4 t-105 -168.91 161.55 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 107.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -120.39 151.4 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.42 HG22 ' CA ' ' A' ' 154' ' ' GLY . 64.8 p -49.68 115.97 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.465 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HG2' HD23 ' A' ' 7' ' ' LEU . 4.3 tpt180 -130.1 142.05 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.85 166.97 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.91 171.36 44.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -171.19 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -37.85 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -137.86 146.02 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 147' ' ' VAL . 1.0 OUTLIER -131.38 -166.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.637 ' N ' HG23 ' A' ' 71' ' ' VAL . 93.6 m-85 -155.31 130.68 9.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 145' ' ' ARG . 1.3 mp -113.38 126.71 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 143' ' ' GLU . 34.4 mt-10 -107.66 118.75 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.904 HG23 HG22 ' A' ' 171' ' ' VAL . 2.8 mt -111.12 133.71 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -111.39 118.46 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.441 ' O ' ' OD1' ' A' ' 141' ' ' ASN . 39.3 p90 -140.87 162.54 35.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.515 ' OG1' HG21 ' A' ' 137' ' ' ILE . 20.8 m -119.71 129.51 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -103.88 137.76 41.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -92.95 128.71 38.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.54 123.52 21.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.84 -37.75 85.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -56.98 -30.7 64.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 m -77.68 -23.24 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 135.77 94.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 60.64 5.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.472 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 122.05 71.03 0.27 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 89' ' ' MET . 2.7 p -39.9 -28.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.472 ' N ' ' C ' ' A' ' 87' ' ' GLY . 0.8 OUTLIER 68.73 4.97 4.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.14 24.24 27.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 91' ' ' THR . 3.4 t -139.88 45.03 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.65 126.72 55.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 165.58 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.78 51.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -148.07 149.28 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -148.49 136.41 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -94.43 135.38 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -112.71 133.24 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 97' ' ' ASN . 17.5 m-85 -125.34 162.6 24.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.521 ' CD1' HG13 ' A' ' 119' ' ' ILE . 4.3 m-85 -128.23 169.21 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -152.51 104.88 2.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 150' ' ' LEU . 2.7 tm-20 -147.5 134.84 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -159.42 160.28 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.79 167.19 21.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.37 -38.02 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.31 113.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -67.74 97.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.63 109.92 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 65.33 155.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.279 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.78 141.03 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.6 pp -54.27 -29.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.97 -48.24 79.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.38 -51.42 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.24 -47.07 86.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 55.55 173.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -71.34 156.83 39.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.14 109.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 13.6 ptpt -60.16 145.84 45.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.521 HG13 ' CD1' ' A' ' 100' ' ' TYR . 47.6 mm -100.88 -82.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.17 176.85 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 p -98.33 130.0 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 98' ' ' LEU . 9.4 pt -116.89 144.49 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.21 167.03 24.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 79' ' ' LEU . . . -57.56 116.16 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER 170.43 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 68.3 -62.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -128.84 49.81 2.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.75 121.24 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 19.5 m -142.64 140.04 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -87.36 119.48 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.722 HG21 HD23 ' A' ' 140' ' ' LEU . 89.7 t -122.39 145.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.42 152.24 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.742 ' C ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.05 152.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.626 ' N ' HD13 ' A' ' 133' ' ' ILE . . . 92.36 -30.7 6.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.563 1.164 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.13 -54.09 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 176.44 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.225 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.515 HG21 ' OG1' ' A' ' 78' ' ' THR . 1.4 mp 66.43 156.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' A' ' 131' ' ' VAL . 3.7 ttt -97.2 -35.35 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.71 97.88 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -90.41 120.34 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 141' ' ' ASN . 27.8 p30 -140.21 142.66 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.9 m -124.7 135.03 52.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 8.3 tm-20 -118.56 129.41 55.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.48 128.92 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.575 ' NE ' ' H ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -104.24 177.95 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.575 ' H ' ' NE ' ' A' ' 145' ' ' ARG . 6.7 p-10 -137.56 145.56 43.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 71' ' ' VAL . 38.5 t -150.83 142.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.19 -74.15 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 150' ' ' LEU . 18.3 Cg_endo -75.0 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -178.98 38.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.424 1.077 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.0 m -62.05 -39.43 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -58.67 -25.16 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 59.17 -170.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.42 ' CA ' HG22 ' A' ' 64' ' ' THR . . . 58.54 84.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.579 ' CD1' ' CD2' ' A' ' 150' ' ' LEU . 46.2 p90 -141.94 171.02 14.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -138.48 123.27 18.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.741 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.2 pt? -101.39 136.91 40.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.02 43.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.392 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 1.194 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 6.7 p90 -138.42 153.95 48.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' ASN . 3.1 mt-30 -113.37 129.27 56.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -107.08 134.91 49.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.35 116.44 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 50.28 48.98 39.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ALA . . . . . 0.44 ' HB1' ' HE1' ' A' ' 96' ' ' PHE . . . -137.11 167.68 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 30.1 m -135.99 112.01 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.604 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -147.4 162.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . . . -130.7 157.41 42.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.49 HD21 ' HZ ' ' A' ' 159' ' ' PHE . 3.1 mm? -101.51 106.0 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 137' ' ' ILE . 24.7 t -80.75 -54.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -173.81 177.61 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.904 HG22 HG23 ' A' ' 75' ' ' ILE . 55.9 t -149.46 116.82 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.185 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 161.48 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.871 HG21 ' CZ2' ' A' ' 62' ' ' TRP . 37.6 t -129.65 157.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 175' ' ' TYR . 34.0 t80 -152.56 169.44 22.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' TYR . . . . . 0.41 ' N ' ' CG ' ' A' ' 174' ' ' PHE . 4.4 p90 -142.36 173.81 11.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 137.26 49.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 27.2 mttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 109.31 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -133.16 147.13 52.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.9 t -108.64 155.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -122.85 154.37 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.1 mt -67.1 -66.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.39 165.51 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.763 ' O ' HG12 ' A' ' 13' ' ' VAL . 39.1 t0 -124.16 151.43 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.93 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.2 p -68.44 -29.77 68.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -37.79 18.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 8.5 t -70.16 -25.76 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.992 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' O ' ' A' ' 9' ' ' ASP . 13.1 p -90.38 40.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' VAL . 29.5 mt-30 -36.58 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -52.68 -68.5 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 36.9 mt-10 -60.04 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 10' ' ' SER . 4.1 mm? 76.43 -10.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 16' ' ' GLU . . . -79.19 -7.65 88.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.836 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -102.6 126.41 49.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER 174.87 -170.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 1.007 ' HB3' HD12 ' A' ' 58' ' ' LEU . . . -101.93 134.09 45.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.2 p -154.14 112.9 2.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.5 Cg_endo -74.91 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.3 mp -66.13 -36.82 84.15 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 1.5 mt-10 159.06 137.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.225 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.32 3.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -65.64 -97.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.695 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.28 123.79 20.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 12.8 mt-10 -118.64 142.24 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -100.4 111.38 23.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.21 137.39 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -99.26 127.91 45.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.733 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.7 pp -131.87 171.1 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 127.46 33.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.9 -172.95 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.69 -28.8 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.84 161.01 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -59.98 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 77.1 p -60.47 144.76 88.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 156.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.34 154.38 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -78.41 124.92 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 21.8 m-85 -116.59 136.66 52.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.63 153.6 49.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.695 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.77 149.0 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.7 t -170.1 105.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.378 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.65 104.42 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 85' ' ' LEU . 17.1 m -126.9 7.01 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -2.04 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -161.78 116.06 1.25 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.4 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.597 1.841 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 p 84.94 5.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.644 ' O ' HG23 ' A' ' 162' ' ' VAL . 32.9 mm-40 -79.68 137.54 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 12.7 p-10 -157.31 58.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.19 124.91 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.7 t90 -86.07 114.93 23.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 107.946 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.007 HD12 ' HB3' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -115.96 128.33 55.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -115.85 116.29 27.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -110.94 150.74 28.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.21 169.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.92 -64.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 64' ' ' THR . 5.9 mt -125.13 158.55 33.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.003 HG21 ' CE2' ' A' ' 155' ' ' PHE . 24.4 m -124.28 143.94 50.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -99.1 162.69 12.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.37 164.08 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.87 -143.24 6.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.43 -174.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.58 90.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 2.3 ptm180 -139.33 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -126.16 -161.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.75 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -150.1 129.16 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.815 HG12 HG12 ' A' ' 173' ' ' VAL . 7.0 mt -114.08 136.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -121.54 109.85 15.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.832 HG23 HG22 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -109.78 128.79 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -112.01 119.86 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CD1' ' OD1' ' A' ' 141' ' ' ASN . 42.2 p90 -140.3 161.65 37.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.849 HG21 ' HA ' ' A' ' 137' ' ' ILE . 16.6 m -123.78 128.59 49.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -103.36 146.75 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -91.18 158.68 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.46 123.54 29.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.8 t -81.42 -12.59 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.55 -25.72 52.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -79.59 -19.88 48.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -72.08 176.19 2.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.67 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.96 76.74 3.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' MET . . . 48.75 42.34 28.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.563 ' O ' ' CB ' ' A' ' 89' ' ' MET . 1.5 t 67.82 -63.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.563 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 86.01 -36.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.99 -26.57 7.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -84.36 19.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 126.95 47.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 156.3 26.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.78 35.93 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.3 p -147.18 148.06 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 166' ' ' ILE . 0.1 OUTLIER -114.25 169.09 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -125.38 124.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 159' ' ' PHE . 2.7 mp -109.71 135.47 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -133.31 170.31 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 p90 -153.31 166.29 33.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -160.93 119.83 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -97.02 156.13 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.57 153.86 20.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.117 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 170.8 8.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -55.88 -34.32 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.21 125.55 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.05 110.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.63 173.28 14.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 153.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -77.92 143.91 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.25 -41.79 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -45.77 91.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -55.45 -47.87 75.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -57.85 -45.78 85.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.54 131.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 22.7 m-85 -62.58 160.38 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.423 HG11 ' OH ' ' A' ' 100' ' ' TYR . 12.1 t -124.31 101.04 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -70.82 126.09 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' A' ' 98' ' ' LEU . 32.4 mt -65.7 -73.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.17 178.24 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.5 m -99.46 125.82 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 98' ' ' LEU . 5.0 pt -112.46 140.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.42 165.95 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 100.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 128' ' ' PHE . 0.3 OUTLIER 167.15 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 69.03 -60.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 125' ' ' ASP . 3.7 m -137.39 44.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 125' ' ' ASP . 3.9 p90 -100.1 125.42 46.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -112.59 136.26 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -89.54 108.63 19.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 p -114.12 142.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -89.92 93.47 9.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -121.69 160.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.68 10.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 2.8 p-10 -79.6 -47.68 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 7.0 mtt85 162.21 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.849 ' HA ' HG21 ' A' ' 78' ' ' THR . 9.1 pt -62.34 91.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -94.4 -12.44 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.76 104.44 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.2 mp -82.68 134.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.599 ' OD1' ' CD1' ' A' ' 77' ' ' PHE . 1.9 m120 -128.58 124.78 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.36 123.55 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.45 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.416 ' HG2' ' CG2' ' A' ' 122' ' ' ILE . 0.7 OUTLIER -135.6 131.31 35.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.294 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 79.2 mt -109.62 137.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.439 ' CG ' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -119.98 174.07 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.07 150.47 51.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' VAL . . . . . 0.866 HG12 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -158.37 163.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -135.42 147.16 19.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.568 1.168 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.54 39.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.38 176.11 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.185 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.15 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.18 137.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 119.96 75.57 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 1.003 ' CE2' HG21 ' A' ' 64' ' ' THR . 7.3 p90 -124.59 168.23 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -153.38 172.64 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.735 ' H ' HD23 ' A' ' 157' ' ' LEU . 2.3 pt? -126.46 150.83 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -135.11 158.42 44.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.888 ' CD2' HD11 ' A' ' 98' ' ' LEU . 5.7 m-85 -119.75 161.18 21.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.38 115.27 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -97.12 119.17 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 54' ' ' GLN . 8.6 p -133.61 117.66 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 39.87 57.39 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.5 156.88 41.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 57.6 m -121.18 107.37 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.718 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -143.25 151.82 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -120.02 152.26 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.48 105.02 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.7 t -76.84 -58.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 162.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.832 HG22 HG23 ' A' ' 75' ' ' ILE . 45.7 t -149.37 116.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 1.9 mpp_? -118.26 162.12 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.815 HG12 HG12 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -135.35 132.53 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 72' ' ' TYR . 3.4 p90 -154.15 168.97 24.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 175' ' ' TYR . 9.0 p90 -120.0 159.43 24.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -129.94 151.19 50.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -69.14 -50.7 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.753 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -126.71 -64.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.98 155.36 47.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.48 153.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -83.74 154.06 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 8' ' ' LEU . 1.2 tm? -165.37 141.45 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.678 ' H ' HD22 ' A' ' 8' ' ' LEU . 35.0 t0 -124.8 148.99 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 p -68.24 -31.12 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -81.55 -35.65 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 47.5 t -64.78 -29.83 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 17' ' ' LEU . 7.9 p -89.24 -46.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 70.0 -61.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.21 171.78 2.01 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 16.2 pt-20 -57.64 155.06 10.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 13' ' ' VAL . 8.7 mp -109.39 -16.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.0 28.05 3.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ2' ' OH ' ' A' ' 44' ' ' TYR . 1.1 m-90 -52.56 148.15 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -160.77 35.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.24 155.07 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p 158.67 155.77 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -166.28 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -67.51 -43.03 81.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mt-10 165.79 151.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.53 -33.12 5.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -67.9 -115.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CE3' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.7 138.83 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.0 150.32 36.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.29 111.89 24.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.44 137.27 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -91.93 131.49 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 ' OD2' ' A' ' 135' ' ' ASP . 2.2 pp -128.87 168.78 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 38' ' ' ASN . 24.7 tpp -83.12 135.81 34.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.11 -173.94 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.16 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -100.81 163.13 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 2.5 t-20 -65.1 -51.4 61.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -63.18 133.03 95.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.09 41.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pt -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -81.64 124.86 29.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -130.49 -178.13 4.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.586 ' OH ' ' CZ2' ' A' ' 19' ' ' TRP . 2.3 m-85 -140.44 136.32 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.628 ' OE1' HG23 ' A' ' 31' ' ' VAL . 2.0 mt-30 -131.54 136.54 47.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' C ' ' A' ' 27' ' ' GLY . 15.0 p -136.47 110.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -133.05 121.08 22.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.63 103.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 91' ' ' THR . 1.3 p -125.81 59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -1.3 11.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.94 108.9 0.22 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.02 122.24 7.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER 155.87 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.94 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.539 ' O ' HG12 ' A' ' 162' ' ' VAL . 35.6 mm-40 -54.15 129.99 36.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -116.19 73.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' HG21 ' A' ' 46' ' ' VAL . 85.8 m-20 -63.25 116.6 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.415 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 21.4 t90 -102.04 119.7 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.579 HD23 ' CE3' ' A' ' 28' ' ' TRP . 1.5 mm? -129.81 137.24 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.94 147.36 41.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 159' ' ' PHE . 17.5 m -128.09 126.66 41.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.21 -179.74 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 76.5 61.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.818 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.1 tt -148.18 156.62 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' CG ' ' A' ' 155' ' ' PHE . 1.0 OUTLIER -155.61 143.81 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 162.14 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.33 179.67 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.33 -51.06 61.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.11 143.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -43.58 -37.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 175.11 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 146' ' ' ASP . 0.6 OUTLIER -128.82 170.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.4 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -108.56 129.38 55.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.759 ' CG1' HG22 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -136.39 140.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 pp20? -125.15 119.96 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.926 HG23 HG23 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -109.71 134.03 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 142' ' ' THR . 2.3 mttt -116.36 119.71 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -138.78 161.02 38.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 167' ' ' ALA . 1.8 m -133.24 126.92 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.53 159.7 28.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -88.9 110.58 21.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -57.32 124.78 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.82 -19.73 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.351 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -26.27 61.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -91.1 -16.21 28.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.29 114.28 52.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.12 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.71 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.065 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 89' ' ' MET . 4.1 p -68.02 -50.12 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 161.46 -47.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.961 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.2 27.73 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.2 t -143.45 42.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.77 135.8 53.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 131.38 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 pt-20 -107.08 42.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 94' ' ' GLU . 2.2 p -154.58 156.38 36.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -129.58 168.41 16.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 87.0 m-20 -128.51 127.69 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.001 HD23 HD11 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -112.05 134.7 53.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.776 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 83.2 m-85 -129.8 169.98 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.9 p90 -138.48 164.6 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.484 ' CB ' ' HB2' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -140.02 121.08 14.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -125.26 153.86 42.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -166.45 170.18 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.34 167.9 13.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.0 -41.0 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.57 96.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.83 -63.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 110' ' ' PHE . 3.9 tt0 -173.77 157.84 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 77.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 108' ' ' GLU . 45.2 m-85 -76.8 144.06 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.2 mm -59.61 -34.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -65.35 -43.58 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.451 ' OE1' HD11 ' A' ' 150' ' ' LEU . 21.2 mm-40 -69.92 -52.3 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.02 -44.91 71.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -42.17 107.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -61.95 173.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 37.2 t -151.02 127.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 21.8 pttt -66.68 148.63 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mm -94.43 -62.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.45 171.63 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 m -93.24 128.78 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 1.001 HD11 HD23 ' A' ' 98' ' ' LEU . 6.5 pt -117.15 139.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.78 166.54 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -57.69 172.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.8 t0 80.51 -155.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 70.99 -62.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -139.87 59.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 128' ' ' PHE . 55.9 p90 -88.14 125.05 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.763 ' HB ' HD21 ' A' ' 140' ' ' LEU . 28.9 m -109.7 143.77 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.84 115.21 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -121.82 143.15 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.63 93.02 8.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.9 tt -121.67 160.85 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.39 10.0 10.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.852 ' OD2' HD13 ' A' ' 33' ' ' ILE . 3.5 t0 -80.04 -53.38 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.808 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 138' ' ' MET . 5.4 mtt-85 164.44 -53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.741 HD13 HG22 ' A' ' 169' ' ' VAL . 58.3 mt -48.51 96.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 15.7 ttt -94.41 -31.36 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -122.65 100.97 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -86.31 140.65 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -122.81 126.3 47.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.59 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.5 m -116.76 129.73 56.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -126.74 131.38 51.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.91 122.97 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.2 mmp_? -138.64 165.01 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 71' ' ' VAL . 1.6 p30 -136.06 160.9 37.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 149' ' ' PRO . 9.3 p -158.38 142.36 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 149' ' ' PRO . . . 174.08 61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 147' ' ' VAL . 18.4 Cg_endo -74.98 -79.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.451 HD11 ' OE1' ' A' ' 113' ' ' GLU . 10.4 mt -62.9 119.69 9.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -33.87 70.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 153' ' ' LYS . 3.1 ptmt -54.32 -49.11 70.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 152' ' ' LYS . 0.8 OUTLIER 164.77 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 107.88 108.48 3.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.818 ' HB2' HG23 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -142.06 109.65 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.484 ' HB2' ' CB ' ' A' ' 101' ' ' TYR . 5.7 m-85 -160.79 128.46 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 157' ' ' LEU . 11.7 mt -95.2 151.09 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -141.49 136.22 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.418 ' CE2' ' OG1' ' A' ' 60' ' ' THR . 10.1 m-85 -118.27 143.28 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.22 123.73 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . 30.2 t70 -119.92 136.01 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 162' ' ' VAL . 6.7 m -136.92 109.96 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 41.08 60.0 2.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -149.09 148.38 29.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 89.5 m -104.08 105.71 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.878 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -146.12 146.18 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.42 155.1 46.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 ' HE1' ' A' ' 28' ' ' TRP . 2.4 mm? -92.59 127.93 38.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 137' ' ' ILE . 45.3 t -95.93 -50.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 169' ' ' VAL . 0.7 OUTLIER -171.74 168.3 6.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.926 HG23 HG23 ' A' ' 75' ' ' ILE . 7.9 p -150.32 137.43 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 173' ' ' VAL . 13.6 ttt180 -144.83 147.84 33.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.759 HG22 ' CG1' ' A' ' 73' ' ' ILE . 62.6 t -122.4 145.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CZ ' ' O ' ' A' ' 175' ' ' TYR . 51.1 t80 -152.17 151.58 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' TYR . . . . . 0.412 ' O ' ' CZ ' ' A' ' 174' ' ' PHE . 26.8 p90 -103.36 147.14 27.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 155.82 49.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -110.09 98.44 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.799 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -68.1 -53.19 20.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.799 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.03 101.13 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 182' ' ' VAL . 3.8 pp -86.17 162.36 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 181' ' ' THR . 13.5 t -65.87 117.03 7.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 180' ' ' LEU . 48.9 t -134.57 108.46 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -44.74 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.604 0.826 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -72.77 -68.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.56 154.86 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.224 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -103.62 153.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.6 p -85.7 133.42 34.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.5 tm? -88.33 -47.27 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.74 120.02 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 1.011 ' O ' HG23 ' A' ' 13' ' ' VAL . 42.2 m-20 -122.57 148.36 45.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.605 ' OG ' HG22 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -69.06 -31.83 70.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -82.53 -40.97 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.9 t -70.62 -11.37 60.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 9' ' ' ASP . 2.6 t -65.01 -64.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 30.9 mt-30 81.79 -45.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -59.61 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.625 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -65.94 -164.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER 170.85 -26.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -50.61 -19.4 3.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 58' ' ' LEU . 9.6 m0 67.65 155.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.98 29.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -140.24 128.56 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.39 154.35 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.23 -43.37 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 170.11 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -36.46 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.38 -101.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.588 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -68.03 133.14 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.71 150.0 41.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -96.29 121.83 38.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.03 137.88 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 p -100.0 126.84 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -136.61 169.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 127.6 34.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -173.43 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.2 -22.15 66.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -100.69 167.91 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.36 162.75 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.3 m 62.63 127.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 157.64 42.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.409 1.742 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.67 153.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -76.77 125.57 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -126.41 165.74 18.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 38.7 m-85 -127.57 137.07 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.5 OUTLIER -139.99 142.4 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG11 ' OD1' ' A' ' 56' ' ' ASN . 7.2 p -135.23 107.62 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.1 m -128.06 128.16 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -173.38 104.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.9 151.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.229 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.637 ' O ' HG21 ' A' ' 91' ' ' THR . 1.5 ttt 178.24 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.33 156.41 31.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 1.3 p 171.75 104.53 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 0.0 110.057 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CD ' ' OE1' ' A' ' 160' ' ' GLN . 14.6 pt20 -56.28 151.76 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 53' ' ' SER . 9.5 m-80 -151.02 -43.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.579 ' OD1' HG11 ' A' ' 46' ' ' VAL . 2.8 t30 -70.86 115.42 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.62 ' O ' HD22 ' A' ' 58' ' ' LEU . 23.5 t90 -125.8 143.22 51.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.657 1.223 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 1.4 mm? -141.64 138.33 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -150.48 143.7 24.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' THR . 8.5 t -133.99 101.26 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 156' ' ' TYR . 4.8 t0 -134.1 115.22 14.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER 165.49 44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 108.063 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.26 150.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 153' ' ' LYS . 5.8 p -144.77 113.55 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.0 165.94 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -127.7 150.9 49.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.51 -144.74 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.52 -53.37 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -176.13 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 8.3 mtm180 -134.42 148.28 50.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.735 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -132.88 -172.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.378 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.735 ' N ' HG23 ' A' ' 71' ' ' VAL . 20.3 m-85 -134.3 130.04 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.912 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -123.71 127.82 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -109.75 109.09 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.035 HG23 HG12 ' A' ' 171' ' ' VAL . 2.9 mt -101.37 134.32 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.837 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -120.05 118.7 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -140.19 154.38 46.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 137' ' ' ILE . 23.4 m -125.95 125.22 42.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.9 156.0 29.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -81.91 134.66 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -76.88 147.27 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.78 -20.45 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 108.278 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -84.75 -17.66 37.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.877 HD23 HG11 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -69.17 123.52 88.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.06 3.21 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.84 70.1 1.12 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.609 1.193 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.877 HG11 HD23 ' A' ' 85' ' ' LEU . 10.5 p -86.98 62.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 2.5 mmt 66.58 -62.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.29 27.43 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.637 HG21 ' O ' ' A' ' 50' ' ' MET . 8.6 t -124.7 32.62 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -114.75 133.72 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 164.1 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 95' ' ' THR . 2.2 mt-10 -138.81 67.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 94' ' ' GLU . 5.7 p -159.17 137.77 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.501 ' CZ ' ' HB ' ' A' ' 166' ' ' ILE . 1.3 m-85 -120.62 169.5 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.9 m-80 -127.17 136.24 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 122' ' ' ILE . 6.6 mt -108.41 128.27 54.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 97.5 m-85 -128.22 153.11 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' HG13 ' A' ' 119' ' ' ILE . 16.6 m-85 -140.26 159.57 41.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 156' ' ' TYR . 4.9 p90 -161.13 141.91 11.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 150' ' ' LEU . 2.6 mt-10 -129.6 140.84 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 152' ' ' LYS . 8.0 t -87.6 141.15 28.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.53 176.43 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.07 -40.61 78.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.16 -166.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 108' ' ' GLU . 0.2 OUTLIER 61.7 -171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 84.6 111.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.73 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.28 141.68 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.27 -38.1 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -45.14 95.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -44.6 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -55.97 -37.31 68.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -41.86 134.07 2.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.91 167.3 13.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.81 121.81 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 130.84 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 100' ' ' TYR . 26.3 mm -89.5 -75.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.65 177.31 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.8 m -96.71 130.28 43.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.491 HD13 ' CD1' ' A' ' 98' ' ' LEU . 3.4 pt -116.09 140.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -146.32 166.43 26.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -57.93 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -178.57 -167.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -60.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.28 75.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 36.6 p90 -100.2 121.55 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.9 p -125.58 108.4 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -82.46 108.17 15.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.77 143.06 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.18 93.59 6.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 137' ' ' ILE . 2.1 tt -121.63 160.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.97 13.25 7.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' A' ' 33' ' ' ILE . 8.1 p-10 -79.87 -50.3 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER 163.33 -51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 169' ' ' VAL . 4.3 mt -60.95 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -91.03 -30.29 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -122.01 101.92 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.616 HD21 ' HD3' ' A' ' 76' ' ' LYS . 6.4 tt -85.52 126.45 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.537 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -127.59 128.84 46.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.837 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.8 m -119.05 136.15 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.446 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -125.63 130.84 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 61.0 mt -104.5 132.0 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -130.49 162.15 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.99 141.44 51.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -153.36 165.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.44 168.31 12.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -37.24 2.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.533 1.807 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER 77.47 152.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.584 ' H ' HD13 ' A' ' 150' ' ' LEU . 3.3 m -63.1 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 103' ' ' SER . 3.7 tptt -62.95 -26.81 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.678 ' O ' HG22 ' A' ' 64' ' ' THR . 1.5 mtpt 77.2 49.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -142.74 132.38 5.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 11.9 p90 -142.68 109.7 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -129.17 151.19 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.763 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.5 pt? -135.53 145.96 47.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.07 144.52 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 38.9 p90 -131.07 159.3 37.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.408 ' OE1' ' CD ' ' A' ' 54' ' ' GLN . 3.0 tt0 -137.71 127.41 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.64 ' OD2' ' HB3' ' A' ' 164' ' ' ALA . 0.8 OUTLIER -90.86 113.21 25.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 162' ' ' VAL . 14.0 p -77.42 95.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 33.81 53.01 0.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.385 1.053 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ALA . . . . . 0.64 ' HB3' ' OD2' ' A' ' 161' ' ' ASP . . . -133.5 165.23 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.3 t -100.65 119.87 39.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 108.353 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.982 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -147.9 141.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -123.21 157.26 33.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.92 113.74 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.721 HG22 ' CD1' ' A' ' 137' ' ' ILE . 33.5 t -85.71 -55.44 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.4 t -168.47 163.36 12.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.066 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 75' ' ' ILE . 28.9 m -150.59 104.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.89 146.66 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.912 HG13 HG13 ' A' ' 73' ' ' ILE . 21.2 t -123.49 135.14 64.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.696 ' CZ ' ' CB ' ' A' ' 72' ' ' TYR . 4.6 p90 -153.06 149.53 28.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' TYR . . . . . 0.587 ' CD1' ' HB ' ' A' ' 71' ' ' VAL . 4.4 m-30 -99.8 156.15 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -136.93 151.27 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 130.65 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -42.98 -53.46 10.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -74.98 95.47 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.81 148.66 27.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 15.6 m -117.13 129.66 56.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.04 149.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ASN . 3.3 t -88.99 -43.66 10.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.76 . . . . 0.0 109.999 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.3 t-20 -40.52 -62.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.74 145.43 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.228 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.04 167.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -78.24 135.45 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 7' ' ' LEU . 6.2 mt -64.88 -53.6 44.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -166.37 135.17 2.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 1.2 m-20 -122.63 160.31 26.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.643 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -62.4 -27.65 69.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -97.7 -40.83 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.7 t -67.18 -17.58 64.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 10' ' ' SER . 7.6 p -63.3 -58.85 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.4 mt-30 84.61 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.551 ' H ' HG22 ' A' ' 13' ' ' VAL . . . -58.65 -125.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 22.1 mt-10 -61.29 -138.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.4 tp 97.43 -9.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' CD1' ' A' ' 19' ' ' TRP . . . -69.48 0.0 21.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 95.99 150.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -121.21 -40.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' O ' ' CE3' ' A' ' 19' ' ' TRP . . . -130.8 -145.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER 79.33 157.75 0.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -74.96 164.6 33.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -69.52 -43.76 72.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.7 mt-10 -151.38 159.67 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.99 -34.61 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.14 -109.87 3.43 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -67.16 140.18 57.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -144.68 150.91 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.53 119.66 37.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' A' ' 45' ' ' GLN . 13.4 m -133.74 127.54 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.5 m -89.56 126.58 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.9 171.9 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.17 134.83 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -177.37 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.08 -34.95 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -87.39 162.98 17.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.1 172.97 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 12.3 m 61.5 133.58 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 158.35 42.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.054 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.52 154.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -88.01 124.79 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 p -129.54 152.41 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.436 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 4.0 m-85 -118.84 135.93 54.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 167' ' ' ALA . 2.7 pt20 -142.75 153.17 43.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 HD21 ' A' ' 56' ' ' ASN . 6.4 p -137.14 118.16 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.26 122.57 22.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -162.34 104.47 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.747 HG11 ' CB ' ' A' ' 92' ' ' CYS . 10.2 t -138.02 84.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.3 mtp -140.47 -97.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 1.3 mt-10 -85.28 -59.34 0.32 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -75.01 148.68 35.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 p -80.08 -90.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 162' ' ' VAL . 0.8 OUTLIER -52.95 147.99 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.716 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -96.05 -49.06 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.73 HD21 HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 170.09 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.453 ' CD1' ' OE1' ' A' ' 160' ' ' GLN . 20.3 t90 -96.21 137.24 35.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 22' ' ' SER . 1.5 mt -136.8 144.49 43.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' CB ' ' HB2' ' A' ' 158' ' ' ALA . 3.0 ptp180 -135.68 157.28 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -130.76 93.99 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HA ' ' CB ' ' A' ' 156' ' ' TYR . 1.3 p-10 -85.96 -175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 70.42 54.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 108.041 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 156' ' ' TYR . 1.8 tt -148.62 140.93 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.68 131.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' CG ' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -132.32 158.05 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.23 151.6 51.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.84 -159.28 9.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 178' ' ' ALA . . . -77.37 -33.34 55.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.15 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 150.93 49.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.635 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -132.67 -169.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 71' ' ' VAL . 30.0 m-85 -139.95 130.39 25.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -124.89 127.88 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 115.6 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.531 HG12 HG23 ' A' ' 171' ' ' VAL . 2.0 mt -101.0 130.79 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.04 119.46 39.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 141' ' ' ASN . 24.6 p90 -140.45 161.12 38.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -126.94 127.63 45.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -107.79 143.5 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -88.89 147.0 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -80.67 124.55 29.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -30.12 50.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 108.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -21.92 66.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -93.88 -14.46 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -69.08 137.34 89.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.482 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.09 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.07 74.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 89' ' ' MET . 8.5 p -64.14 -43.31 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.545 ' HB3' HG22 ' A' ' 91' ' ' THR . 0.4 OUTLIER 74.65 -1.97 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.8 23.53 37.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 91' ' ' THR . 2.7 t -139.24 39.22 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.747 ' CB ' HG11 ' A' ' 49' ' ' VAL . 16.9 p -115.09 148.8 38.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.63 164.96 11.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.545 ' HB2' HD22 ' A' ' 79' ' ' LEU . 1.1 pt-20 -149.41 46.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.458 ' CG2' ' C ' ' A' ' 94' ' ' GLU . 6.7 p -150.62 168.14 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -143.41 151.89 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -103.2 138.59 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.033 HD11 HD13 ' A' ' 157' ' ' LEU . 0.7 OUTLIER -109.47 137.72 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -137.01 170.6 15.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 119' ' ' ILE . 38.9 p90 -150.3 162.33 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -152.8 124.7 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.523 ' OE1' HD21 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -126.37 151.82 47.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 t -148.7 165.54 31.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -102.08 172.99 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.306 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 3.1 m120 -57.21 -42.08 80.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER 162.35 131.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.34 -93.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 110' ' ' PHE . 3.3 pm0 -116.62 -33.39 4.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.64 88.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 108' ' ' GLU . 59.7 m-85 -71.35 143.95 50.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.53 -40.25 73.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 3.3 mtm105 -67.62 -51.24 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.06 -44.78 71.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -33.8 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.54 140.67 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -61.87 157.85 17.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 100' ' ' TYR . 17.2 t -139.97 119.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -83.51 142.59 30.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 100' ' ' TYR . 33.1 mm -84.64 -72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -169.04 178.25 4.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.4 m -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -114.61 143.36 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.59 164.82 29.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.85 92.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER 175.0 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 69.86 -60.94 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.8 OUTLIER -137.16 108.16 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 29.1 p90 -123.33 123.19 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.8 m -108.6 142.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.15 108.78 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.55 143.04 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.73 93.45 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.501 HG23 ' OD1' ' A' ' 135' ' ' ASP . 5.6 tt -121.91 160.24 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -128.04 19.53 5.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 133' ' ' ILE . 27.6 p-10 -80.4 -50.98 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.7 -77.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 137' ' ' ILE . 5.0 tp -76.8 108.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -92.74 4.24 54.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 101.48 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.1 mm? -85.63 133.36 34.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -97.76 124.46 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.14 123.82 41.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 13.9 mm-40 -115.92 129.84 56.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 68.0 mt -103.07 133.53 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 176.2 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -136.46 141.3 43.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -158.18 166.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.562 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 147.63 -47.51 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.0 Cg_endo -74.98 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.523 HD21 ' OE1' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -178.26 104.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 59.3 p -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -29.75 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 -159.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 39.21 67.74 0.56 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 102' ' ' GLU . 7.3 p90 -132.92 167.94 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.476 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 8.0 p90 -135.57 -178.72 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 1.033 HD13 HD11 ' A' ' 98' ' ' LEU . 1.2 pp -130.55 151.35 51.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.552 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . . . -134.52 158.29 44.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.894 ' CE2' HD11 ' A' ' 157' ' ' LEU . 96.3 m-85 -121.66 154.23 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.453 ' OE1' ' CD1' ' A' ' 57' ' ' TRP . 0.8 OUTLIER -134.7 129.61 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.616 ' OD1' HD12 ' A' ' 166' ' ' ILE . 0.2 OUTLIER -99.05 102.43 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 162' ' ' VAL . 1.1 p -99.36 95.23 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 47.31 47.18 21.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.73 164.65 28.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 76.0 m -121.13 100.39 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.698 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -133.61 152.83 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -124.36 155.99 37.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.5 mt -107.8 105.88 15.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.87 -56.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.1 t -174.37 173.15 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 171' ' ' VAL . 5.4 p -148.01 103.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.433 ' CG ' ' OD1' ' A' ' 9' ' ' ASP . 7.0 tmm_? -101.84 146.13 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 73' ' ' ILE . 72.3 t -107.18 154.07 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.416 ' CD1' ' NH1' ' A' ' 172' ' ' ARG . 1.5 t80 -152.66 163.1 40.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 176' ' ' LYS . 13.4 t80 -144.5 158.54 43.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 175' ' ' TYR . 1.3 tppt? -134.02 146.08 50.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -66.65 138.11 57.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.396 1.06 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.861 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -61.11 -54.58 52.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.1 Cg_endo -75.04 65.9 6.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.31 117.22 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 m -104.55 122.25 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 53.4 t -132.42 105.18 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.99 88.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.052 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 64.57 169.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -89.16 153.35 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.62 159.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -83.04 135.25 34.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 65' ' ' ARG . 4.0 tt -80.92 -69.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -134.51 120.18 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 52.2 m-20 -123.53 146.99 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 171' ' ' VAL . 6.8 t -80.77 -31.13 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 41' ' ' ILE . 59.3 ttp85 -80.14 -45.23 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 4.1 t -57.83 -31.32 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' GLN . 10.3 p -85.55 -47.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER 73.2 -56.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -54.57 -163.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -53.8 163.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.55 -15.16 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 113.1 31.41 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.3 p-90 -41.36 130.12 2.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.425 HD11 ' OD1' ' A' ' 61' ' ' ASP . 2.7 mt -117.26 -56.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.608 ' O ' HD11 ' A' ' 58' ' ' LEU . . . -102.27 -179.66 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 p 157.56 148.7 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.45 4.18 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -67.8 -44.1 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mt-10 162.28 163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.21 -31.51 6.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.51 -89.95 1.32 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.1 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 25.8 mt-10 -138.45 144.52 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.43 117.41 34.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.578 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -134.15 137.37 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.6 p -89.68 126.95 35.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -130.51 171.66 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.39 127.61 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.21 -172.31 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.76 -31.98 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -96.68 166.51 11.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.12 -64.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -52.13 118.34 12.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.41 42.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.3 pt -124.16 150.85 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -78.52 125.47 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -116.63 -170.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HB2' HD23 ' A' ' 168' ' ' LEU . 52.9 m-85 -141.09 138.67 33.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 20.4 mp0 -125.91 134.11 51.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.4 p -137.65 108.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 23.0 t -130.77 129.12 42.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 171.43 103.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 163' ' ' GLY . 23.8 m -102.06 -22.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -26.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -81.31 176.62 3.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' SER . 18.0 Cg_endo -75.06 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' PRO . 14.0 p -30.31 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 160' ' ' GLN . 11.1 mt-30 -85.99 151.22 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -118.25 -38.44 3.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -147.86 149.91 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.378 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 21.8 t90 -119.73 134.43 55.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 108.03 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.608 HD11 ' O ' ' A' ' 21' ' ' ALA . 1.8 tp -138.92 139.93 38.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 162.15 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.75 143.77 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.0 OUTLIER 174.94 -177.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.75 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.1 mt -141.37 138.62 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.57 144.84 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.834 ' HG2' HD11 ' A' ' 7' ' ' LEU . 1.3 tpm_? -131.18 155.23 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.228 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.84 152.51 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -142.98 -179.07 19.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.27 71.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.461 ' HA ' ' CD ' ' A' ' 149' ' ' PRO . 4.0 tt0 -171.02 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -138.73 146.29 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 147' ' ' VAL . 14.6 m -133.59 -173.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 174' ' ' PHE . 5.4 m-85 -139.1 130.62 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.564 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -121.79 127.76 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 15.5 pt-20 -114.55 118.08 32.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -107.82 151.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 3.8 mttt -131.44 119.89 22.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 75' ' ' ILE . 11.1 m-85 -139.39 161.25 37.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -136.9 127.17 26.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.64 163.04 26.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -86.18 138.47 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.733 ' O ' HD13 ' A' ' 85' ' ' LEU . 39.9 m-20 -66.1 127.4 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -85.11 -26.85 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.51 -24.85 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -92.85 -11.57 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.733 HD13 ' O ' ' A' ' 81' ' ' ASP . 1.8 mp -73.9 116.39 51.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.7 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.91 57.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.618 HG22 ' SG ' ' A' ' 82' ' ' CYS . 0.9 OUTLIER -45.69 -51.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.544 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 5.0 ttt 84.51 -42.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.72 -24.4 13.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 89' ' ' MET . 1.7 t -84.17 21.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.3 126.96 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER -103.73 166.79 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.442 ' C ' HG23 ' A' ' 95' ' ' THR . 8.6 pt-20 -143.63 35.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 123' ' ' ALA . 62.0 p -152.1 162.0 41.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 166' ' ' ILE . 31.6 m-85 -129.3 164.96 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 62.4 m-80 -129.29 119.63 24.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 140.37 39.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.247 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 97' ' ' ASN . 50.4 m-85 -136.37 160.31 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.8 p90 -135.55 167.39 21.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -160.02 115.28 2.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.02 135.21 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.6 t -165.72 170.1 14.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -85.39 -179.72 7.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.31 -40.42 93.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.65 141.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -57.06 171.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -88.56 170.66 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -161.76 -60.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -70.67 142.65 51.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.1 pt -78.04 -31.07 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.197 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -66.73 -43.03 85.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.72 64.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -57.08 -45.66 83.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.61 113.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -76.15 165.33 25.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 40.4 t -120.46 124.54 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -56.59 140.34 46.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ILE . 16.3 mm -82.91 -67.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.01 160.97 10.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 m -90.96 123.08 34.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.405 ' CG1' ' HB2' ' A' ' 96' ' ' PHE . 4.0 pt -115.7 144.52 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.569 ' HB2' HG22 ' A' ' 95' ' ' THR . . . -148.01 165.47 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.96 93.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.6 OUTLIER 174.64 -164.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 3.9 tt0 67.97 -61.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.5 OUTLIER -117.34 95.17 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 28.5 p90 -118.9 122.91 43.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 66.2 p -132.54 122.42 24.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.82 110.24 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.0 143.12 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.56 96.07 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -122.22 153.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.39 -32.19 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.3 -54.6 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.391 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 172.51 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG21 ' A' ' 133' ' ' ILE . 2.1 mt 74.7 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.77 -23.56 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -112.1 103.43 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.6 mm? -85.02 117.48 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.5 OUTLIER -111.54 125.15 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.4 m -122.76 132.78 54.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.085 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.21 131.11 41.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.97 144.27 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.75 171.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.25 142.72 44.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.1 t -145.83 152.63 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.26 169.96 16.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.12 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.07 140.28 17.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.1 p -62.04 -40.33 95.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.0 -36.03 79.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 65.83 120.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 144.37 76.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.624 ' CE2' HD21 ' A' ' 157' ' ' LEU . 6.3 p90 -93.17 130.58 38.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.54 140.67 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 155' ' ' PHE . 1.9 mm? -105.93 141.45 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.71 134.7 28.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 p90 -145.58 145.1 30.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 54' ' ' GLN . 17.1 tt0 -130.17 138.66 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.55 119.15 32.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 163' ' ' GLY . 0.7 OUTLIER -80.77 84.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.749 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 29.07 65.94 0.1 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -136.36 164.53 27.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 84.6 m -103.8 99.91 9.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -141.42 151.52 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -129.32 153.35 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 77' ' ' PHE . 2.2 mm? -87.37 115.8 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.437 ' HB ' ' C ' ' A' ' 76' ' ' LYS . 43.1 t -85.32 -55.92 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' SER . . . . . 0.401 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 1.4 t -166.31 164.8 17.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 171' ' ' VAL . 2.3 m -150.24 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 3.5 mtp180 -112.39 161.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.564 HG13 HG13 ' A' ' 73' ' ' ILE . 91.9 t -145.35 139.2 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 174' ' ' PHE . 1.2 p90 -152.76 169.04 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -125.0 150.27 46.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.28 121.18 17.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 97.99 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -75.04 -54.65 2.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -75.0 148.72 35.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.56 1.821 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 163.88 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 181' ' ' THR . 9.5 t -104.47 114.15 28.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.18 149.85 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 m -67.46 -50.96 56.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -64.89 154.02 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 151.28 23.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -102.59 158.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -75.92 139.56 41.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 174' ' ' PHE . 4.3 mm? -70.64 -58.87 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.74 115.22 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.379 1.049 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 49.3 t0 -110.74 151.2 28.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.9 m -90.66 -31.16 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.51 -45.4 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -56.5 -33.16 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' CG2' HD21 ' A' ' 17' ' ' LEU . 9.5 m -89.83 -40.16 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 75.47 -56.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.14 171.97 5.99 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -57.65 157.52 7.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 13' ' ' VAL . 4.4 mm? -112.5 -14.6 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 35.36 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' ALA . 2.2 p-90 -75.16 133.39 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 20' ' ' ILE . 4.7 mt -134.93 57.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.134 ' HB3' HD13 ' A' ' 58' ' ' LEU . . . -138.49 135.87 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 5.7 p 179.89 136.55 0.28 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.3 mm? -76.09 -41.24 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.6 mt-10 163.35 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.37 26.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.28 -115.09 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.83 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -64.15 122.64 17.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 32.4 mt-10 -124.58 145.61 49.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.12 115.04 28.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -132.79 127.36 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -86.13 137.33 32.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG22 ' OD1' ' A' ' 135' ' ' ASP . 1.1 pp -120.47 170.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 ttp -87.04 127.63 35.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -107.51 179.57 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -21.61 24.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.19 169.55 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -65.29 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -48.68 115.71 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 156.61 43.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -111.67 153.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 16' ' ' GLU . 7.8 ptp180 -87.05 125.28 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.82 163.82 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 6.3 m-85 -117.59 137.18 52.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.56 144.87 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.86 150.08 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -164.05 105.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.56 104.13 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' THR . 7.0 p -137.5 125.63 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.383 1.052 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -173.34 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 179.2 -58.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 p -111.4 94.9 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 161' ' ' ASP . 24.1 mt-30 -85.03 131.11 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.8 87.31 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.217 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -65.84 122.32 17.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.662 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.1 t90 -74.75 123.24 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.134 HD13 ' HB3' ' A' ' 21' ' ' ALA . 1.2 mm? -131.51 131.59 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' NH2' ' CE2' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -110.06 151.1 27.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -131.83 164.35 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' THR . 3.1 t70 82.37 162.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -142.62 -60.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -113.93 137.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' HD1' ' A' ' 155' ' ' PHE . 58.8 m -76.43 145.42 39.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -115.29 160.03 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.24 172.96 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.83 166.55 27.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.0 -90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -116.36 -37.58 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 176' ' ' LYS . 0.0 OUTLIER -136.6 155.45 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 m -132.18 -177.78 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -121.99 130.8 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.782 HD13 ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -135.74 143.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.782 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 mt-10 -134.9 150.43 50.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.505 HG23 HG13 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -135.13 139.2 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.75 118.01 32.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -140.74 159.36 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 140' ' ' LEU . 6.0 p -130.68 125.32 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.802 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -125.09 153.53 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.369 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -84.51 127.84 34.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.22 123.75 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.29 -21.62 63.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -87.04 -20.98 26.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.853 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -67.82 159.43 79.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.853 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.98 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.443 1.76 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 88' ' ' VAL . . . -66.21 -48.69 62.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER 87.29 -20.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.15 -58.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.07 28.09 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 91' ' ' THR . 2.2 t -147.13 43.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.9 131.32 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -106.05 155.73 19.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.03 42.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 25.5 p -139.03 137.11 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -120.83 138.47 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.02 145.62 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.88 HD21 HD11 ' A' ' 122' ' ' ILE . 2.2 mt -117.5 142.31 47.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -138.15 157.16 46.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -100.01 168.1 10.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 87.8 t80 -162.54 101.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.177 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.26 154.74 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.34 162.02 40.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -99.23 154.13 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.03 -25.13 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.4 88.86 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.97 116.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.46 175.24 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 56.78 165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -73.04 137.83 45.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 pp -85.25 -37.39 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -57.98 -51.82 68.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -51.37 70.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 6.8 m-80 -57.56 -51.48 69.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 10.5 pt20 48.34 -176.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -81.93 164.58 21.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.71 113.61 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -59.04 128.1 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 100' ' ' TYR . 2.0 mm -86.5 -70.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.46 ' O ' HD12 ' A' ' 98' ' ' LEU . 2.6 t0 -169.88 178.86 3.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.2 m -108.08 128.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.88 HD11 HD21 ' A' ' 98' ' ' LEU . 5.4 pt -117.04 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.59 166.27 23.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -73.03 170.56 14.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 2.6 t70 89.13 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' ASP . 45.5 mm-40 -37.96 -41.38 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 m -149.24 61.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 4.8 p90 -66.47 122.26 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.8 m -129.37 145.41 51.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -107.04 107.81 19.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 138' ' ' MET . 10.2 p -120.77 144.5 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.16 92.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -122.72 150.17 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.6 8.81 10.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.444 ' OD1' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.77 -54.34 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 137' ' ' ILE . 1.6 mtm-85 163.07 157.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.479 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 4.7 tp 42.66 94.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' VAL . 2.0 ttm -83.82 15.2 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.99 100.95 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.593 ' HA ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -85.58 138.29 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.79 125.11 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 m -123.05 139.48 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -129.27 130.1 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -97.13 124.67 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.756 ' HD3' HD13 ' A' ' 98' ' ' LEU . 2.2 ttm105 -129.65 165.47 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.375 1.047 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.546 ' O ' HG13 ' A' ' 147' ' ' VAL . 2.9 p30 -136.4 161.81 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 146' ' ' ASP . 1.1 m -156.13 154.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -101.61 147.51 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.598 1.186 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.48 12.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 150' ' ' LEU . 3.2 mm? -77.29 145.78 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -45.24 94.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -26.35 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt 79.03 109.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 151.12 58.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.724 ' HD1' HG23 ' A' ' 64' ' ' THR . 1.8 p90 -89.94 127.25 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -129.68 134.08 47.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.883 HD22 ' H ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -109.23 144.65 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.883 ' H ' HD22 ' A' ' 157' ' ' LEU . . . -141.46 151.65 43.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 p90 -130.56 156.14 45.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -131.75 122.26 25.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 54' ' ' GLN . 19.2 t70 -100.9 133.25 45.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' GLY . 1.2 m -133.25 126.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 36.68 60.3 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 141.71 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.04 101.36 11.13 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -137.26 155.05 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.02 150.24 50.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 168' ' ' LEU . 2.8 mm? -96.12 113.11 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.571 HG21 HG23 ' A' ' 78' ' ' THR . 40.1 t -83.94 -55.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.6 m -168.29 -176.99 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.505 HG13 HG23 ' A' ' 75' ' ' ILE . 19.4 t -143.62 156.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -139.6 154.81 47.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.8 140.36 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.922 ' HA ' HD23 ' A' ' 7' ' ' LEU . 32.0 t80 -152.39 168.43 25.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' TYR . . . . . 0.735 ' HD2' HD21 ' A' ' 7' ' ' LEU . 1.2 p90 -129.5 167.89 17.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -137.21 155.95 48.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 177' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 178' ' ' ALA . 7.5 ptpt -111.11 153.36 25.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.857 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -40.03 -54.94 4.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.857 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.04 78.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.431 HD22 ' HD2' ' A' ' 176' ' ' LYS . 15.7 tp -99.43 114.38 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 7.0 t -119.64 117.53 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 4.6 p -122.36 140.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.97 -48.42 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.983 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -71.13 -52.52 18.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 174' ' ' PHE . 4.1 tp10 -126.58 156.93 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -106.68 159.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -102.25 143.18 32.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -73.19 -66.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 125.49 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.789 ' O ' HG13 ' A' ' 13' ' ' VAL . 39.8 t0 -126.85 146.86 50.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.826 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.58 -31.55 69.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG21 ' A' ' 41' ' ' ILE . 1.6 ttp180 -79.94 -37.29 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 32.3 t -63.9 -28.86 70.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 9' ' ' ASP . 5.7 m -89.27 -39.54 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 74.19 -57.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.26 -155.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -56.2 142.2 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.826 HD22 ' HB2' ' A' ' 10' ' ' SER . 14.1 tp -106.06 -14.78 15.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.79 8.26 34.88 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.41 ' CD1' ' OH ' ' A' ' 44' ' ' TYR . 64.6 p-90 -60.59 127.13 30.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -138.24 54.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -135.41 161.26 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 3.5 p 164.76 114.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.9 mp -66.17 -44.41 84.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.1 mt-10 160.51 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.96 -32.65 4.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.825 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -66.34 -119.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -65.7 140.11 58.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 17.7 mt-10 -141.23 150.26 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.34 124.35 37.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.631 HG11 ' NE2' ' A' ' 45' ' ' GLN . 3.8 p -135.0 138.3 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 m -104.45 124.72 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.57 172.3 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -85.78 144.11 27.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.06 -179.57 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 6.1 pt-20 -56.76 -33.19 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -94.49 169.63 10.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.218 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.72 164.63 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.0 m 60.98 125.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 34' ' ' MET . 18.1 Cg_endo -75.08 156.41 42.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -123.9 145.96 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -72.3 125.89 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -120.72 178.91 4.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 17.0 m-85 -143.36 138.17 29.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.631 ' NE2' HG11 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -138.87 150.69 46.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' C ' ' A' ' 27' ' ' GLY . 8.5 p -136.95 115.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -132.78 126.74 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -173.2 103.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.73 106.42 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' GLU . 2.1 mtm 169.56 38.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' N ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 mt-10 37.05 55.71 3.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -74.92 0.8 8.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m 47.04 45.75 15.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.483 ' CG ' ' HB2' ' A' ' 52' ' ' PRO . 2.3 mt-30 -87.19 137.22 32.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -118.2 91.46 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -83.73 116.84 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.534 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 26.8 t90 -104.4 115.99 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' A' ' 158' ' ' ALA . 3.0 mt -134.54 124.54 25.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 7.5 ptm180 -129.62 144.02 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.575 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 52.3 m -123.33 93.7 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 156' ' ' TYR . 2.1 t70 -142.91 -78.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 83.34 -72.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.04 148.56 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -129.79 165.97 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 173.69 8.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 155' ' ' PHE . . . -167.54 -176.13 38.0 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.65 -155.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -37.73 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.46 44.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -140.83 168.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.551 ' N ' HG23 ' A' ' 71' ' ' VAL . 12.8 m-85 -134.55 144.24 47.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 72' ' ' TYR . 1.3 mp -135.13 130.85 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 5.9 pt-20 -117.59 109.78 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 HG23 ' A' ' 171' ' ' VAL . 0.9 OUTLIER -100.67 130.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -113.75 117.86 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 141' ' ' ASN . 12.7 p90 -141.3 161.57 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -122.78 127.18 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 80' ' ' ARG . 3.4 tt -108.83 133.09 53.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.818 ' N ' HD23 ' A' ' 79' ' ' LEU . 20.5 mmt85 -77.87 113.15 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.7 123.87 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.495 ' O ' HG11 ' A' ' 88' ' ' VAL . 11.3 m -70.02 -35.56 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -22.32 66.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -17.52 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 122.81 69.99 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.23 9.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.19 78.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 82' ' ' CYS . 4.9 p -58.59 -42.81 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 91' ' ' THR . 5.9 mmt 63.72 153.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.7 41.74 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 89' ' ' MET . 6.5 t -134.15 31.94 3.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.9 138.72 49.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 134.23 33.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.23 33.71 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.5 p -136.55 127.0 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -105.97 133.51 50.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 1.4 m120 -91.07 130.24 36.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 122' ' ' ILE . 2.0 tp -114.61 121.27 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 97' ' ' ASN . 73.7 m-85 -121.6 149.06 43.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CD1' HG13 ' A' ' 119' ' ' ILE . 3.5 m-85 -124.63 162.63 23.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -161.16 129.22 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.47 134.21 52.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 153' ' ' LYS . 0.6 OUTLIER -166.53 155.18 10.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -104.4 167.03 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -39.94 77.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.72 78.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 165.35 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 48.44 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -66.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.31 132.88 38.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -84.31 -26.92 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.99 -42.79 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -54.74 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -66.01 -51.59 56.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 55.98 170.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -81.02 167.53 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.5 t -122.38 122.66 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -83.59 127.81 34.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.596 HG13 ' CD1' ' A' ' 100' ' ' TYR . 9.2 mm -86.88 -80.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -166.26 177.42 6.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 75.0 m -101.69 130.26 48.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.512 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -114.12 140.56 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -142.87 168.5 19.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . . . -55.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 127' ' ' SER . 3.1 t0 179.91 -159.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.17 . . . . 0.0 109.245 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 68.76 -61.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' ASP . 2.8 t -148.4 80.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 128' ' ' PHE . 30.6 p90 -116.86 126.99 53.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.4 m -121.04 143.31 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -101.13 109.12 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.59 141.69 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -83.52 93.83 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -122.12 146.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.63 13.21 46.79 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.73 -54.01 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 168.37 -67.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 1.0 OUTLIER -52.91 109.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.2 ttt -96.15 -31.88 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 100.31 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.12 135.54 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -117.23 129.78 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.04 126.99 53.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -137.67 130.63 30.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.7 mt -121.42 148.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.51 161.92 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 2.1 p-10 -128.84 159.34 36.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.69 HG22 ' HD3' ' A' ' 149' ' ' PRO . 2.9 p -158.32 164.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.72 65.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.717 ' C ' HD23 ' A' ' 150' ' ' LEU . 18.1 Cg_endo -75.1 -79.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.717 HD23 ' C ' ' A' ' 149' ' ' PRO . 0.4 OUTLIER -112.17 124.75 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 88.1 p -71.11 -39.54 72.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -28.37 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.654 ' HG3' HD12 ' A' ' 150' ' ' LEU . 6.9 mmmt -89.4 162.48 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 155' ' ' PHE . . . -78.96 -163.53 25.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.592 1.183 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 67' ' ' GLY . 23.3 m-85 -142.22 121.14 12.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 60' ' ' THR . 4.4 m-85 -158.04 166.09 33.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 pt? -149.37 150.16 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -123.23 158.6 30.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 161' ' ' ASP . 7.2 t80 -120.2 156.84 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.486 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 0.0 OUTLIER -139.71 133.56 30.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 159' ' ' PHE . 20.7 t70 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 162' ' ' VAL . 5.2 m -137.28 98.76 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 42.0 63.87 1.64 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -139.79 163.34 32.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 98.7 m -109.64 99.13 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.97 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -148.32 133.47 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -111.37 152.5 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.33 105.85 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 76' ' ' LYS . 12.7 t -75.67 -56.6 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.5 t -168.55 168.82 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.585 HG23 HG23 ' A' ' 75' ' ' ILE . 2.8 p -150.43 113.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.463 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -109.1 162.44 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.358 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.5 156.27 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 4' ' ' GLU . 20.9 t80 -149.67 169.47 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -147.84 175.13 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.06 145.88 48.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.01 155.83 16.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.826 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -40.4 -53.96 5.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.826 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.4 Cg_endo -74.94 61.87 5.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.63 145.77 22.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 14.6 t -122.93 167.44 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.1 t -128.86 141.39 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.225 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -61.13 -49.64 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -74.18 140.77 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 174' ' ' PHE . 0.5 OUTLIER -95.82 155.01 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.03 151.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -92.85 148.19 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 4.8 tp -65.72 -50.21 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CB ' HD11 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -165.83 139.69 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 33.2 t0 -115.45 159.37 21.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.474 ' C ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.72 -27.43 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD2' HG21 ' A' ' 41' ' ' ILE . 11.0 ttp-105 -94.76 -46.64 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.369 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 5.3 t -57.67 -32.01 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 17' ' ' LEU . 12.7 p -65.33 -49.42 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' N ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-30 69.13 -58.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -51.62 -173.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.29 148.18 9.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 13' ' ' VAL . 6.2 mp -114.52 -12.64 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 89.65 24.7 29.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' A' ' 17' ' ' LEU . 25.6 m-90 -41.59 126.79 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -150.78 29.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . . . -121.45 151.25 40.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.8 p 158.18 113.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.11 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.4 mm? -66.04 -43.5 87.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mt-10 163.73 137.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.97 -36.37 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.601 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -60.45 -118.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.764 ' HE1' HD12 ' A' ' 168' ' ' LEU . 0.4 OUTLIER -64.89 134.1 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 3.8 mt-10 -145.23 154.66 42.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 125.8 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG11 ' CD ' ' A' ' 45' ' ' GLN . 3.7 p -135.41 135.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.1 m -96.72 125.88 41.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.82 171.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.0 ttt -82.1 139.6 34.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -111.63 -176.26 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.375 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -19.08 11.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -101.19 172.95 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.17 -65.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t -55.35 131.95 69.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.93 160.27 40.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.563 HG21 ' HD2' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -127.59 141.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -70.06 129.06 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -126.09 155.33 41.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.608 ' CD1' ' CD2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -118.7 136.05 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CD ' HG11 ' A' ' 31' ' ' VAL . 1.6 pt20 -148.61 155.11 40.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 27' ' ' GLY . 9.0 p -136.67 116.52 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 31.8 t -126.38 116.51 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.389 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -157.64 103.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.5 t -140.5 89.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.1 ttt -118.68 -35.38 3.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.8 mt-10 165.34 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.94 127.89 11.09 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.419 1.747 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.454 ' HB3' ' CG2' ' A' ' 162' ' ' VAL . 1.2 m -73.86 105.65 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.059 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.56 149.79 29.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.78 95.58 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' OD1' HG21 ' A' ' 46' ' ' VAL . 15.5 m-80 -88.02 118.15 27.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -80.69 125.0 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 159' ' ' PHE . 38.6 tp -138.67 125.6 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.221 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 117.23 11.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -134.04 145.91 49.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.5 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.1 OUTLIER 173.51 144.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.82 37.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 107.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 173' ' ' VAL . 8.3 mm -138.39 167.14 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -157.25 140.82 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -132.21 138.05 47.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 10.5 pt-20 -130.52 176.85 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.79 -87.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.5 158.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -103.38 -37.72 7.51 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 10.3 mtm-85 -107.38 150.61 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.9 m -136.6 179.22 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.554 ' C ' HD12 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -142.32 132.06 24.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.554 HD12 ' C ' ' A' ' 72' ' ' TYR . 3.7 mp -137.54 151.97 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' C ' HD13 ' A' ' 75' ' ' ILE . 2.8 mt-10 -135.96 137.61 41.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.791 HG23 HG12 ' A' ' 171' ' ' VAL . 0.4 OUTLIER -120.37 131.29 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 142' ' ' THR . 1.2 mttt -110.08 119.26 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 141' ' ' ASN . 13.6 p90 -139.79 162.24 35.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.871 ' HB ' HG21 ' A' ' 137' ' ' ILE . 1.5 p -124.74 127.45 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -106.21 141.81 36.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -79.01 148.92 32.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 54.6 m-20 -73.95 121.24 20.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.52 -22.67 43.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.278 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.63 -21.91 66.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -18.43 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -65.93 119.38 60.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.02 73.14 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 113.6 29.24 2.97 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -40.09 -30.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 87' ' ' GLY . 9.5 mmt 62.63 -99.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.41 24.59 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -105.45 15.19 27.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -114.04 126.07 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.356 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 164.94 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.61 43.0 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 48.6 p -129.87 144.15 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -132.69 154.04 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -107.68 147.18 31.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD11 HD13 ' A' ' 122' ' ' ILE . 21.9 mt -108.69 143.53 37.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE1' ' N ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -144.48 161.9 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.947 ' CD1' HD11 ' A' ' 119' ' ' ILE . 9.2 p90 -159.73 160.47 34.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -162.58 116.51 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -156.83 135.62 11.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.16 171.65 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -74.18 177.07 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -54.97 -39.34 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.3 155.4 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.07 109.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 2.3 tt0 178.12 167.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER 85.58 -43.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.52 142.45 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.0 pt -59.62 -35.07 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -63.52 -52.62 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -45.95 91.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.1 -44.01 96.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -47.28 131.12 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.377 1.048 . . . . 0.0 110.264 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -76.23 -174.91 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 100' ' ' TYR . 4.1 t -139.99 115.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.609 ' N ' ' CE1' ' A' ' 99' ' ' TYR . 11.7 tttt -66.67 134.91 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.947 HD11 ' CD1' ' A' ' 100' ' ' TYR . 22.3 mm -86.64 -65.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.79 178.9 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.4 m -103.86 127.92 51.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.642 HG22 ' HG3' ' A' ' 143' ' ' GLU . 0.6 OUTLIER -107.45 142.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.21 164.9 26.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -66.65 175.79 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.475 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 1.3 m-20 79.61 -155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 71.52 -63.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.0 81.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 125' ' ' ASP . 1.0 OUTLIER -94.32 122.98 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.9 p -128.87 118.6 22.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.57 108.06 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.31 143.56 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.66 93.15 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -97.38 148.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -119.09 -18.0 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -75.99 -57.61 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.517 ' HB3' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER 169.46 177.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.871 HG21 ' HB ' ' A' ' 78' ' ' THR . 2.5 mp 49.62 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 ttt -93.18 16.58 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -121.45 100.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.3 mm? -86.41 140.74 29.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -129.0 123.63 32.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.8 m -123.88 134.31 53.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.7 tm-20 -119.0 131.28 55.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.73 116.75 35.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' ILE . 7.5 mmm180 -114.15 141.75 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -137.13 157.13 47.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.5 t -126.81 166.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 -71.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 155' ' ' PHE . 0.1 OUTLIER 175.88 58.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -35.26 76.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -24.0 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 77.14 149.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.423 ' O ' HD21 ' A' ' 150' ' ' LEU . . . 63.95 135.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 155' ' ' PHE . 2.6 p90 -142.62 141.85 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -99.91 145.85 27.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 157' ' ' LEU . 1.8 mm? -102.52 141.06 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . . . -141.78 134.7 28.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.901 ' HB2' HD23 ' A' ' 58' ' ' LEU . 57.2 m-85 -125.29 146.79 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.44 114.5 13.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASP . . . . . 0.445 ' OD1' HD12 ' A' ' 166' ' ' ILE . 34.0 m-20 -96.04 136.91 35.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 162' ' ' VAL . 8.1 p -137.15 116.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 37.47 62.2 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 163.11 39.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 99.4 m -123.28 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -136.91 143.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' OG1' ' A' ' 78' ' ' THR . . . -117.48 153.09 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.764 HD12 ' HE1' ' A' ' 28' ' ' TRP . 6.8 mt -101.69 105.7 16.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 78' ' ' THR . 55.3 t -77.99 -56.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -167.53 167.12 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.078 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.791 HG12 HG23 ' A' ' 75' ' ' ILE . 5.9 m -140.99 115.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' ILE . 11.1 mtp180 -102.65 155.38 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 63' ' ' ILE . 90.4 t -129.59 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 t80 -152.26 169.56 22.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 65' ' ' ARG . 29.4 p90 -123.4 175.09 6.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -134.23 98.72 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 102.52 11.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -57.96 -53.45 65.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -75.04 75.94 3.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.01 138.37 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 1.9 m -115.98 154.62 29.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 183' ' ' ARG . 13.0 t -87.69 114.38 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 182' ' ' VAL . 12.2 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -49.36 74.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 110.059 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.16 110.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 154.91 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.643 1.214 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.1 161.8 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.612 HG21 ' OD2' ' A' ' 9' ' ' ASP . 9.8 t -77.06 148.95 35.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 173' ' ' VAL . 2.0 tt -77.28 -60.18 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -149.84 145.89 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -128.45 146.39 50.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 p -84.4 -31.67 24.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -39.7 81.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -56.26 -29.49 61.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.927 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' GLN . 1.1 m -89.77 -41.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 13' ' ' VAL . 15.3 pt20 45.46 106.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.92 -142.89 14.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.34 121.69 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.2 mm? -102.06 -11.82 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.11 51.76 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 p-90 -66.92 149.41 50.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tt -132.18 63.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -124.84 136.89 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 2.6 t 159.13 112.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.94 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -64.23 -37.21 86.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.3 mt-10 161.46 138.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.05 -29.82 9.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.783 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -70.49 -113.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.793 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -65.12 140.29 58.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -145.67 150.1 35.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' CH2' ' A' ' 28' ' ' TRP . 39.6 mt-10 -95.9 111.01 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.49 132.32 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.4 p -97.03 126.89 42.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 171.15 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.8 134.32 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' ILE . 1.1 p-10 -102.8 169.77 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -54.45 -21.33 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.01 167.69 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.24 156.28 22.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 29.4 m 61.72 133.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 161.1 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.413 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.6 pt -121.92 149.11 25.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 125.34 28.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.4 p -123.01 157.25 33.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -118.31 136.96 53.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.753 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -141.72 143.83 33.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.793 HG23 ' N ' ' A' ' 28' ' ' TRP . 13.8 p -133.42 106.69 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 164' ' ' ALA . 5.9 t -132.09 113.34 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 108.343 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.61 103.45 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 ' CB ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -115.7 -12.38 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -65.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 54' ' ' GLN . 3.7 mm-40 -53.95 153.94 8.14 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.9 p 39.33 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 8.1 mm100 -78.15 148.48 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -117.17 93.68 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -101.62 121.3 41.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.751 ' C ' HD12 ' A' ' 58' ' ' LEU . 18.3 t90 -78.74 116.02 18.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.751 HD12 ' C ' ' A' ' 57' ' ' TRP . 10.1 mp -133.88 140.23 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 157' ' ' LEU . 7.6 mpt_? 66.47 131.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 157' ' ' LEU . 2.8 m -138.42 -74.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.654 ' CB ' ' CD2' ' A' ' 156' ' ' TYR . 14.2 p-10 -124.43 -165.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -167.9 -157.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 108.002 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.422 ' O ' ' CB ' ' A' ' 155' ' ' PHE . 1.5 tt -117.02 152.16 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 t -72.42 145.68 47.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -127.1 164.57 21.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.51 -177.91 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.3 -161.2 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.75 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -38.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -174.27 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 147' ' ' VAL . 3.4 m -130.84 -167.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 174' ' ' PHE . 4.6 m-85 -144.6 130.33 19.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 144' ' ' ILE . 1.4 mt -122.86 148.61 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 10.3 pt-20 -128.13 119.95 26.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.026 HG23 HG12 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -111.42 128.31 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -112.59 118.49 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 141' ' ' ASN . 14.9 p90 -140.44 161.75 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.852 HG21 HG22 ' A' ' 137' ' ' ILE . 2.3 m -120.8 146.28 46.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.448 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -120.74 139.79 52.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.232 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.803 ' HD3' HD21 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -93.39 127.8 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.3 p30 -61.93 139.52 58.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.32 -21.59 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -77.99 -24.08 48.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -91.94 -16.97 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.803 HD21 ' HD3' ' A' ' 80' ' ' ARG . 1.3 mp -75.47 115.62 47.21 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.93 79.73 0.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 12.2 p -114.35 40.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 63.97 -64.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.035 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.88 21.25 4.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.392 1.058 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -128.63 50.02 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.544 ' CB ' HG11 ' A' ' 49' ' ' VAL . 22.5 p -115.08 131.67 56.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.9 165.72 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -135.57 26.38 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.2 p -140.74 156.44 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 166' ' ' ILE . 40.5 m-85 -141.36 157.6 44.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.54 122.04 46.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -109.2 145.23 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.825 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 23.1 m-85 -144.2 165.42 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.42 ' CZ ' HD21 ' A' ' 157' ' ' LEU . 0.6 OUTLIER -127.56 170.67 12.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -155.31 149.4 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -153.3 151.76 30.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 p -150.54 151.79 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.53 174.7 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.01 -40.88 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -58.1 -62.97 1.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.72 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 34.8 mm-40 -90.12 -95.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -159.6 30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 108' ' ' GLU . 97.1 m-85 -72.47 144.6 48.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.0 -29.28 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -33.58 75.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -34.16 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.55 -44.47 86.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.61 118.43 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -68.97 175.87 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.0 t -114.77 110.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -73.02 134.29 44.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.689 HG23 ' HE ' ' A' ' 145' ' ' ARG . 48.3 mm -104.93 -96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 119' ' ' ILE . 3.3 t0 -169.02 178.23 4.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 1.0 OUTLIER -98.67 134.17 41.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.463 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -117.12 141.32 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.8 165.87 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 128' ' ' PHE . . . -58.28 108.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER 167.21 -37.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 73.1 mm-40 -37.1 -44.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.97 60.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -67.56 120.9 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.7 m -123.82 144.24 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.14 107.6 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.406 HG12 HD23 ' A' ' 140' ' ' LEU . 5.9 p -116.66 143.57 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.5 91.85 8.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 136' ' ' ARG . 1.5 tt -123.98 149.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.33 -6.14 31.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.11 -54.58 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.406 ' O ' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER 166.65 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.852 HG22 HG21 ' A' ' 78' ' ' THR . 21.9 pt 43.7 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -30.07 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -110.57 100.95 9.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.371 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.2 mm? -86.3 131.72 34.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -127.18 127.77 45.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.7 m -123.86 135.79 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 75' ' ' ILE . 8.9 tm-20 -124.83 131.69 53.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 74.5 mt -109.82 145.05 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.689 ' HE ' HG23 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -144.2 164.11 31.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.564 ' O ' HG13 ' A' ' 147' ' ' VAL . 0.0 OUTLIER -127.39 150.99 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.24 165.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 157.21 -49.18 0.45 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.0 118.98 5.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 150' ' ' LEU . 0.0 OUTLIER -172.16 116.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -68.24 -41.25 81.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -34.83 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 131.76 172.3 13.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.122 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -140.87 110.76 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 111.036 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.654 ' CD2' ' CB ' ' A' ' 61' ' ' ASP . 21.5 m-85 -139.32 158.88 43.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 156' ' ' TYR . 1.7 mm? -128.27 149.11 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -142.75 134.9 27.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 160' ' ' GLN . 6.4 t80 -145.6 153.27 40.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 1.1 tp60 -139.63 121.1 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.44 131.92 53.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 162' ' ' VAL . 13.4 m -137.08 105.82 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 48.7 66.59 2.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . -142.77 166.08 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 79.3 m -132.46 100.57 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.359 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 1.2 pp -144.63 153.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . . . -127.37 156.98 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 110.77 23.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.6 t -78.64 -55.34 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 4.5 t -169.69 167.4 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 1.026 HG12 HG23 ' A' ' 75' ' ' ILE . 9.7 m -150.24 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 4.9 mtt180 -113.3 161.98 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 7' ' ' LEU . 86.7 t -115.82 164.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.472 ' N ' HG12 ' A' ' 173' ' ' VAL . 24.4 t80 -152.5 169.21 23.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -135.43 166.26 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -132.28 154.59 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -103.14 141.18 36.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.776 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -68.78 -52.61 17.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.4 Cg_endo -74.97 87.33 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.67 141.04 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.4 m -68.62 135.57 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.48 140.07 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -62.25 -49.02 77.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 110.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -45.88 169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.24 155.49 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 6' ' ' THR . 8.6 p -104.77 168.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 5' ' ' VAL . 70.0 p -104.54 154.21 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.682 HD23 ' HG2' ' A' ' 65' ' ' ARG . 1.9 mp -64.9 -53.81 40.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -161.93 138.08 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.16 142.62 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG12 ' A' ' 13' ' ' VAL . 10.7 p -78.2 -31.87 49.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -33.96 75.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -55.83 -35.53 66.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 17' ' ' LEU . 15.0 p -87.92 -30.97 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' GLY . 46.3 mt-30 68.35 -65.56 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.621 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -42.91 167.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.49 151.79 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 13' ' ' VAL . 4.0 mm? -115.28 -13.14 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.34 37.26 0.8 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.419 1.074 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.531 ' CE3' ' CH2' ' A' ' 28' ' ' TRP . 53.0 p-90 -65.33 127.53 32.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -134.16 63.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.58 154.33 48.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.4 t 160.4 112.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -157.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -64.24 -38.75 92.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mt-10 158.94 128.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.97 -45.38 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.18 -121.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE2' ' HB3' ' A' ' 44' ' ' TYR . 18.3 t90 -64.61 124.13 21.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -141.94 148.24 38.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' OE1' ' CH2' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -91.15 110.98 22.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.07 136.98 51.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.4 p -96.74 136.27 37.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.65 171.02 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.82 126.7 34.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -108.34 -179.31 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -20.78 59.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 169.75 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.89 -69.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 9.1 t -59.69 144.69 84.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.05 163.66 34.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.2 pt -120.08 132.7 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 125.23 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.405 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 2.9 p -129.8 173.43 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -118.72 136.76 53.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HG3' ' HB2' ' A' ' 167' ' ' ALA . 0.7 OUTLIER -125.85 149.14 48.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.522 HG22 ' CA ' ' A' ' 28' ' ' TRP . 4.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 t -175.14 101.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' O ' ' HA2' ' A' ' 163' ' ' GLY . 1.3 m-20 -149.51 103.28 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 163' ' ' GLY . 3.6 m -133.54 37.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 ttt -106.97 -60.41 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 165.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 106.39 2.27 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p 53.42 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 140.59 35.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.19 86.47 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 160' ' ' GLN . 1.9 t30 -102.57 116.34 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -113.2 126.24 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.194 HD12 ' CZ ' ' A' ' 159' ' ' PHE . 1.9 tm? -139.65 126.51 20.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.48 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -112.89 148.81 34.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -111.2 101.35 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 156' ' ' TYR . 2.3 p30 -50.69 163.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.871 ' CZ2' HG21 ' A' ' 173' ' ' VAL . 17.4 t-105 -168.91 161.55 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 107.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -120.39 151.4 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.42 HG22 ' CA ' ' A' ' 154' ' ' GLY . 64.8 p -49.68 115.97 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.465 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HG2' HD23 ' A' ' 7' ' ' LEU . 4.3 tpt180 -130.1 142.05 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.85 166.97 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.91 171.36 44.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -171.19 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -37.85 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -137.86 146.02 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 147' ' ' VAL . 1.0 OUTLIER -131.38 -166.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.637 ' N ' HG23 ' A' ' 71' ' ' VAL . 93.6 m-85 -155.31 130.68 9.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 145' ' ' ARG . 1.3 mp -113.38 126.71 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 143' ' ' GLU . 34.4 mt-10 -107.66 118.75 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.904 HG23 HG22 ' A' ' 171' ' ' VAL . 2.8 mt -111.12 133.71 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -111.39 118.46 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.441 ' O ' ' OD1' ' A' ' 141' ' ' ASN . 39.3 p90 -140.87 162.54 35.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.515 ' OG1' HG21 ' A' ' 137' ' ' ILE . 20.8 m -119.71 129.51 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -103.88 137.76 41.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -92.95 128.71 38.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.54 123.52 21.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.84 -37.75 85.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -56.98 -30.7 64.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 m -77.68 -23.24 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 135.77 94.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 60.64 5.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.472 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 122.05 71.03 0.27 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 89' ' ' MET . 2.7 p -39.9 -28.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.472 ' N ' ' C ' ' A' ' 87' ' ' GLY . 0.8 OUTLIER 68.73 4.97 4.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.14 24.24 27.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 91' ' ' THR . 3.4 t -139.88 45.03 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.65 126.72 55.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 165.58 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.78 51.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -148.07 149.28 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -148.49 136.41 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -94.43 135.38 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -112.71 133.24 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 97' ' ' ASN . 17.5 m-85 -125.34 162.6 24.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.521 ' CD1' HG13 ' A' ' 119' ' ' ILE . 4.3 m-85 -128.23 169.21 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -152.51 104.88 2.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 150' ' ' LEU . 2.7 tm-20 -147.5 134.84 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -159.42 160.28 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.79 167.19 21.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.37 -38.02 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.31 113.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -67.74 97.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.63 109.92 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 65.33 155.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.279 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.78 141.03 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.6 pp -54.27 -29.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.97 -48.24 79.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.38 -51.42 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.24 -47.07 86.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 55.55 173.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -71.34 156.83 39.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.14 109.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 13.6 ptpt -60.16 145.84 45.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.521 HG13 ' CD1' ' A' ' 100' ' ' TYR . 47.6 mm -100.88 -82.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.17 176.85 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 p -98.33 130.0 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 98' ' ' LEU . 9.4 pt -116.89 144.49 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.21 167.03 24.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 79' ' ' LEU . . . -57.56 116.16 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER 170.43 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 68.3 -62.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -128.84 49.81 2.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.75 121.24 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 19.5 m -142.64 140.04 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -87.36 119.48 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.722 HG21 HD23 ' A' ' 140' ' ' LEU . 89.7 t -122.39 145.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.42 152.24 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.742 ' C ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.05 152.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.626 ' N ' HD13 ' A' ' 133' ' ' ILE . . . 92.36 -30.7 6.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.563 1.164 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.13 -54.09 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 176.44 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.225 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.515 HG21 ' OG1' ' A' ' 78' ' ' THR . 1.4 mp 66.43 156.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' A' ' 131' ' ' VAL . 3.7 ttt -97.2 -35.35 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.71 97.88 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -90.41 120.34 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 141' ' ' ASN . 27.8 p30 -140.21 142.66 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.9 m -124.7 135.03 52.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 8.3 tm-20 -118.56 129.41 55.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.48 128.92 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.575 ' NE ' ' H ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -104.24 177.95 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.575 ' H ' ' NE ' ' A' ' 145' ' ' ARG . 6.7 p-10 -137.56 145.56 43.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 71' ' ' VAL . 38.5 t -150.83 142.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.19 -74.15 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 150' ' ' LEU . 18.3 Cg_endo -75.0 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -178.98 38.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.424 1.077 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.0 m -62.05 -39.43 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -58.67 -25.16 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 59.17 -170.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.42 ' CA ' HG22 ' A' ' 64' ' ' THR . . . 58.54 84.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.579 ' CD1' ' CD2' ' A' ' 150' ' ' LEU . 46.2 p90 -141.94 171.02 14.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -138.48 123.27 18.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.741 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.2 pt? -101.39 136.91 40.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.02 43.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.392 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 1.194 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 6.7 p90 -138.42 153.95 48.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' ASN . 3.1 mt-30 -113.37 129.27 56.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -107.08 134.91 49.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.35 116.44 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 50.28 48.98 39.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ALA . . . . . 0.44 ' HB1' ' HE1' ' A' ' 96' ' ' PHE . . . -137.11 167.68 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 30.1 m -135.99 112.01 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.604 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -147.4 162.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . . . -130.7 157.41 42.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.49 HD21 ' HZ ' ' A' ' 159' ' ' PHE . 3.1 mm? -101.51 106.0 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 137' ' ' ILE . 24.7 t -80.75 -54.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -173.81 177.61 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.904 HG22 HG23 ' A' ' 75' ' ' ILE . 55.9 t -149.46 116.82 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.185 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 161.48 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.871 HG21 ' CZ2' ' A' ' 62' ' ' TRP . 37.6 t -129.65 157.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 175' ' ' TYR . 34.0 t80 -152.56 169.44 22.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' TYR . . . . . 0.41 ' N ' ' CG ' ' A' ' 174' ' ' PHE . 4.4 p90 -142.36 173.81 11.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 137.26 49.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -65.67 156.74 31.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.866 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -49.14 -54.93 24.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.866 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.06 65.58 6.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.98 147.44 23.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 46.6 m -117.41 127.19 53.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 182' ' ' VAL . 7.4 p -133.23 98.87 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 m -89.9 -50.85 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -161.73 112.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -133.16 147.13 52.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.9 t -108.64 155.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -122.85 154.37 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.1 mt -67.1 -66.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.39 165.51 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.763 ' O ' HG12 ' A' ' 13' ' ' VAL . 39.1 t0 -124.16 151.43 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.93 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.2 p -68.44 -29.77 68.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -37.79 18.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 8.5 t -70.16 -25.76 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.992 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' O ' ' A' ' 9' ' ' ASP . 13.1 p -90.38 40.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' VAL . 29.5 mt-30 -36.58 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -52.68 -68.5 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 36.9 mt-10 -60.04 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 10' ' ' SER . 4.1 mm? 76.43 -10.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 16' ' ' GLU . . . -79.19 -7.65 88.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.836 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -102.6 126.41 49.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER 174.87 -170.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.007 ' HB3' HD12 ' A' ' 58' ' ' LEU . . . -101.93 134.09 45.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.2 p -154.14 112.9 2.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.5 Cg_endo -74.91 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.3 mp -66.13 -36.82 84.15 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 1.5 mt-10 159.06 137.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.225 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.32 3.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -65.64 -97.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.695 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.28 123.79 20.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 12.8 mt-10 -118.64 142.24 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -100.4 111.38 23.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.21 137.39 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -99.26 127.91 45.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.733 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.7 pp -131.87 171.1 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 127.46 33.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.9 -172.95 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.69 -28.8 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.84 161.01 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -59.98 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 77.1 p -60.47 144.76 88.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 156.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.34 154.38 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -78.41 124.92 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 21.8 m-85 -116.59 136.66 52.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.63 153.6 49.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.695 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.77 149.0 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.7 t -170.1 105.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.378 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.65 104.42 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 85' ' ' LEU . 17.1 m -126.9 7.01 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -2.04 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -161.78 116.06 1.25 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.4 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.597 1.841 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 p 84.94 5.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.644 ' O ' HG23 ' A' ' 162' ' ' VAL . 32.9 mm-40 -79.68 137.54 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 12.7 p-10 -157.31 58.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.19 124.91 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.7 t90 -86.07 114.93 23.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 107.946 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.007 HD12 ' HB3' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -115.96 128.33 55.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -115.85 116.29 27.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -110.94 150.74 28.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.21 169.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.92 -64.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 64' ' ' THR . 5.9 mt -125.13 158.55 33.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.003 HG21 ' CE2' ' A' ' 155' ' ' PHE . 24.4 m -124.28 143.94 50.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -99.1 162.69 12.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.37 164.08 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.87 -143.24 6.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.43 -174.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.58 90.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 2.3 ptm180 -139.33 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -126.16 -161.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.75 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -150.1 129.16 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.815 HG12 HG12 ' A' ' 173' ' ' VAL . 7.0 mt -114.08 136.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -121.54 109.85 15.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.832 HG23 HG22 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -109.78 128.79 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -112.01 119.86 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CD1' ' OD1' ' A' ' 141' ' ' ASN . 42.2 p90 -140.3 161.65 37.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.849 HG21 ' HA ' ' A' ' 137' ' ' ILE . 16.6 m -123.78 128.59 49.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -103.36 146.75 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -91.18 158.68 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.46 123.54 29.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.8 t -81.42 -12.59 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.55 -25.72 52.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -79.59 -19.88 48.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -72.08 176.19 2.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.67 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.96 76.74 3.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' MET . . . 48.75 42.34 28.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.563 ' O ' ' CB ' ' A' ' 89' ' ' MET . 1.5 t 67.82 -63.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.563 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 86.01 -36.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.99 -26.57 7.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -84.36 19.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 126.95 47.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 156.3 26.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.78 35.93 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.3 p -147.18 148.06 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 166' ' ' ILE . 0.1 OUTLIER -114.25 169.09 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -125.38 124.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 159' ' ' PHE . 2.7 mp -109.71 135.47 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -133.31 170.31 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 p90 -153.31 166.29 33.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -160.93 119.83 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -97.02 156.13 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.57 153.86 20.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.117 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 170.8 8.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -55.88 -34.32 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.21 125.55 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.05 110.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.63 173.28 14.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 153.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -77.92 143.91 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.25 -41.79 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -45.77 91.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -55.45 -47.87 75.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -57.85 -45.78 85.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.54 131.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 22.7 m-85 -62.58 160.38 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.423 HG11 ' OH ' ' A' ' 100' ' ' TYR . 12.1 t -124.31 101.04 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -70.82 126.09 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' A' ' 98' ' ' LEU . 32.4 mt -65.7 -73.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.17 178.24 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.5 m -99.46 125.82 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 98' ' ' LEU . 5.0 pt -112.46 140.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.42 165.95 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 100.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 128' ' ' PHE . 0.3 OUTLIER 167.15 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 69.03 -60.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 125' ' ' ASP . 3.7 m -137.39 44.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 125' ' ' ASP . 3.9 p90 -100.1 125.42 46.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -112.59 136.26 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -89.54 108.63 19.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 p -114.12 142.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -89.92 93.47 9.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -121.69 160.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.68 10.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 2.8 p-10 -79.6 -47.68 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 7.0 mtt85 162.21 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.849 ' HA ' HG21 ' A' ' 78' ' ' THR . 9.1 pt -62.34 91.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -94.4 -12.44 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.76 104.44 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.2 mp -82.68 134.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.599 ' OD1' ' CD1' ' A' ' 77' ' ' PHE . 1.9 m120 -128.58 124.78 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.36 123.55 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.45 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.416 ' HG2' ' CG2' ' A' ' 122' ' ' ILE . 0.7 OUTLIER -135.6 131.31 35.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.294 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 79.2 mt -109.62 137.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.439 ' CG ' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -119.98 174.07 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.07 150.47 51.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.866 HG12 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -158.37 163.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -135.42 147.16 19.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.568 1.168 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.54 39.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.38 176.11 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.185 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.15 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.18 137.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 119.96 75.57 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 1.003 ' CE2' HG21 ' A' ' 64' ' ' THR . 7.3 p90 -124.59 168.23 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -153.38 172.64 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.735 ' H ' HD23 ' A' ' 157' ' ' LEU . 2.3 pt? -126.46 150.83 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -135.11 158.42 44.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.888 ' CD2' HD11 ' A' ' 98' ' ' LEU . 5.7 m-85 -119.75 161.18 21.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.38 115.27 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -97.12 119.17 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 54' ' ' GLN . 8.6 p -133.61 117.66 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 39.87 57.39 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.5 156.88 41.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 57.6 m -121.18 107.37 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.718 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -143.25 151.82 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -120.02 152.26 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.48 105.02 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.7 t -76.84 -58.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 162.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.832 HG22 HG23 ' A' ' 75' ' ' ILE . 45.7 t -149.37 116.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 1.9 mpp_? -118.26 162.12 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.815 HG12 HG12 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -135.35 132.53 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 72' ' ' TYR . 3.4 p90 -154.15 168.97 24.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 175' ' ' TYR . 9.0 p90 -120.0 159.43 24.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -129.94 151.19 50.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -72.76 116.83 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -54.41 -54.25 50.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.6 Cg_endo -75.03 73.21 4.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.46 1.768 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.72 149.56 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 181' ' ' THR . 9.3 t -66.29 117.19 8.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 14.5 p -145.55 145.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.98 155.36 47.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.48 153.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -83.74 154.06 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 8' ' ' LEU . 1.2 tm? -165.37 141.45 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.678 ' H ' HD22 ' A' ' 8' ' ' LEU . 35.0 t0 -124.8 148.99 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 p -68.24 -31.12 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -81.55 -35.65 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 47.5 t -64.78 -29.83 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 17' ' ' LEU . 7.9 p -89.24 -46.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 70.0 -61.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.21 171.78 2.01 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 16.2 pt-20 -57.64 155.06 10.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 13' ' ' VAL . 8.7 mp -109.39 -16.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.0 28.05 3.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ2' ' OH ' ' A' ' 44' ' ' TYR . 1.1 m-90 -52.56 148.15 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -160.77 35.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.24 155.07 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p 158.67 155.77 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -166.28 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -67.51 -43.03 81.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mt-10 165.79 151.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.53 -33.12 5.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -67.9 -115.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CE3' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.7 138.83 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.0 150.32 36.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.29 111.89 24.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.778 HG23 ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.44 137.27 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -91.93 131.49 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 ' OD2' ' A' ' 135' ' ' ASP . 2.2 pp -128.87 168.78 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 38' ' ' ASN . 24.7 tpp -83.12 135.81 34.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.11 -173.94 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.16 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -100.81 163.13 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 2.5 t-20 -65.1 -51.4 61.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -63.18 133.03 95.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.09 41.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pt -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -81.64 124.86 29.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -130.49 -178.13 4.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.586 ' OH ' ' CZ2' ' A' ' 19' ' ' TRP . 2.3 m-85 -140.44 136.32 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.778 ' NE2' HG23 ' A' ' 31' ' ' VAL . 4.9 mt-30 -131.54 136.54 47.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' C ' ' A' ' 27' ' ' GLY . 15.0 p -136.47 110.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -133.05 121.08 22.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.63 103.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 91' ' ' THR . 1.3 p -125.81 59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -1.3 11.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.94 108.9 0.22 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.02 122.24 7.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER 155.87 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.94 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.539 ' O ' HG12 ' A' ' 162' ' ' VAL . 35.6 mm-40 -54.15 129.99 36.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -116.19 73.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' HG21 ' A' ' 46' ' ' VAL . 85.8 m-20 -63.25 116.6 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.415 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 21.4 t90 -102.04 119.7 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.579 HD23 ' CE3' ' A' ' 28' ' ' TRP . 1.5 mm? -129.81 137.24 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.94 147.36 41.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 159' ' ' PHE . 17.5 m -128.09 126.66 41.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.21 -179.74 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 76.5 61.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.818 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.1 tt -148.18 156.62 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' CG ' ' A' ' 155' ' ' PHE . 1.0 OUTLIER -155.61 143.81 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 162.14 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.33 179.67 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.33 -51.06 61.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.11 143.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -43.58 -37.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 175.11 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 146' ' ' ASP . 0.6 OUTLIER -128.82 170.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.4 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -108.56 129.38 55.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.759 ' CG1' HG22 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -136.39 140.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 pp20? -125.15 119.96 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.926 HG23 HG23 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -109.71 134.03 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 142' ' ' THR . 2.3 mttt -116.36 119.71 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -138.78 161.02 38.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 167' ' ' ALA . 1.8 m -133.24 126.92 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.53 159.7 28.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -88.9 110.58 21.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -57.32 124.78 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.82 -19.73 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.351 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -26.27 61.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -91.1 -16.21 28.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.29 114.28 52.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.12 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.71 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.065 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 89' ' ' MET . 4.1 p -68.02 -50.12 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 161.46 -47.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.961 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.2 27.73 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.2 t -143.45 42.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.77 135.8 53.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 131.38 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 pt-20 -107.08 42.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 94' ' ' GLU . 2.2 p -154.58 156.38 36.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -129.58 168.41 16.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 87.0 m-20 -128.51 127.69 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.001 HD23 HD11 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -112.05 134.7 53.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.776 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 83.2 m-85 -129.8 169.98 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.9 p90 -138.48 164.6 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.484 ' CB ' ' HB2' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -140.02 121.08 14.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -125.26 153.86 42.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -166.45 170.18 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.34 167.9 13.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.0 -41.0 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.57 96.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.83 -63.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 110' ' ' PHE . 3.9 tt0 -173.77 157.84 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 77.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 108' ' ' GLU . 45.2 m-85 -76.8 144.06 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.476 HG22 HE21 ' A' ' 115' ' ' GLN . 9.2 mm -59.61 -34.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -65.35 -43.58 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.451 ' OE1' HD11 ' A' ' 150' ' ' LEU . 21.2 mm-40 -69.92 -52.3 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.02 -44.91 71.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.476 HE21 HG22 ' A' ' 111' ' ' ILE . 1.2 mt-30 -42.17 107.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -61.95 173.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 37.2 t -151.02 127.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 21.8 pttt -66.68 148.63 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mm -94.43 -62.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.45 171.63 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 m -93.24 128.78 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 1.001 HD11 HD23 ' A' ' 98' ' ' LEU . 6.5 pt -117.15 139.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.78 166.54 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -57.69 172.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.8 t0 80.51 -155.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 70.99 -62.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -139.87 59.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 128' ' ' PHE . 55.9 p90 -88.14 125.05 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.763 ' HB ' HD21 ' A' ' 140' ' ' LEU . 28.9 m -109.7 143.77 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.84 115.21 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -121.82 143.15 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.63 93.02 8.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.9 tt -121.67 160.85 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.39 10.0 10.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.852 ' OD2' HD13 ' A' ' 33' ' ' ILE . 3.5 t0 -80.04 -53.38 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.808 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 138' ' ' MET . 5.4 mtt-85 164.44 -53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.741 HD13 HG22 ' A' ' 169' ' ' VAL . 58.3 mt -48.51 96.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 15.7 ttt -94.41 -31.36 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -122.65 100.97 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -86.31 140.65 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -122.81 126.3 47.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.59 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.5 m -116.76 129.73 56.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -126.74 131.38 51.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.91 122.97 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.2 mmp_? -138.64 165.01 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 71' ' ' VAL . 1.6 p30 -136.06 160.9 37.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 149' ' ' PRO . 9.3 p -158.38 142.36 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 149' ' ' PRO . . . 174.08 61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 147' ' ' VAL . 18.4 Cg_endo -74.98 -79.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.451 HD11 ' OE1' ' A' ' 113' ' ' GLU . 10.4 mt -62.9 119.69 9.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -33.87 70.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 153' ' ' LYS . 3.1 ptmt -54.32 -49.11 70.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 152' ' ' LYS . 0.8 OUTLIER 164.77 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 107.88 108.48 3.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.818 ' HB2' HG23 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -142.06 109.65 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.484 ' HB2' ' CB ' ' A' ' 101' ' ' TYR . 5.7 m-85 -160.79 128.46 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 157' ' ' LEU . 11.7 mt -95.2 151.09 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -141.49 136.22 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.418 ' CE2' ' OG1' ' A' ' 60' ' ' THR . 10.1 m-85 -118.27 143.28 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.22 123.73 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . 30.2 t70 -119.92 136.01 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 162' ' ' VAL . 6.7 m -136.92 109.96 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 41.08 60.0 2.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -149.09 148.38 29.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 89.5 m -104.08 105.71 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.878 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -146.12 146.18 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.42 155.1 46.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 ' HE1' ' A' ' 28' ' ' TRP . 2.4 mm? -92.59 127.93 38.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 137' ' ' ILE . 45.3 t -95.93 -50.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 169' ' ' VAL . 0.7 OUTLIER -171.74 168.3 6.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.926 HG23 HG23 ' A' ' 75' ' ' ILE . 7.9 p -150.32 137.43 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 173' ' ' VAL . 13.6 ttt180 -144.83 147.84 33.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.759 HG22 ' CG1' ' A' ' 73' ' ' ILE . 62.6 t -122.4 145.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CZ ' ' O ' ' A' ' 175' ' ' TYR . 51.1 t80 -152.17 151.58 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . 0.412 ' O ' ' CZ ' ' A' ' 174' ' ' PHE . 26.8 p90 -103.36 147.14 27.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 155.82 49.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.56 154.86 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.224 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -103.62 153.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.6 p -85.7 133.42 34.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.5 tm? -88.33 -47.27 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.74 120.02 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 1.011 ' O ' HG23 ' A' ' 13' ' ' VAL . 42.2 m-20 -122.57 148.36 45.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.605 ' OG ' HG22 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -69.06 -31.83 70.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -82.53 -40.97 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.9 t -70.62 -11.37 60.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 9' ' ' ASP . 2.6 t -65.01 -64.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 30.9 mt-30 81.79 -45.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -59.61 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.625 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -65.94 -164.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER 170.85 -26.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -50.61 -19.4 3.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 58' ' ' LEU . 9.6 m0 67.65 155.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.98 29.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -140.24 128.56 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.39 154.35 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.23 -43.37 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 170.11 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -36.46 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.38 -101.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.588 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -68.03 133.14 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.71 150.0 41.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -96.29 121.83 38.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.03 137.88 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 p -100.0 126.84 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -136.61 169.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 127.6 34.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -173.43 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.2 -22.15 66.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -100.69 167.91 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.36 162.75 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.3 m 62.63 127.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 157.64 42.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.409 1.742 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.67 153.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -76.77 125.57 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -126.41 165.74 18.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 38.7 m-85 -127.57 137.07 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -139.99 142.4 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.728 HG11 ' ND2' ' A' ' 56' ' ' ASN . 7.2 p -135.23 107.62 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.1 m -128.06 128.16 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -173.38 104.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.9 151.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.229 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.637 ' O ' HG21 ' A' ' 91' ' ' THR . 1.5 ttt 178.24 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.33 156.41 31.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 1.3 p 171.75 104.53 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 0.0 110.057 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CD ' ' OE1' ' A' ' 160' ' ' GLN . 14.6 pt20 -56.28 151.76 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 53' ' ' SER . 9.5 m-80 -151.02 -43.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.728 ' ND2' HG11 ' A' ' 46' ' ' VAL . 8.6 t-20 -70.86 115.42 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.62 ' O ' HD22 ' A' ' 58' ' ' LEU . 23.5 t90 -125.8 143.22 51.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.657 1.223 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 1.4 mm? -141.64 138.33 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -150.48 143.7 24.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' THR . 8.5 t -133.99 101.26 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 156' ' ' TYR . 4.8 t0 -134.1 115.22 14.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER 165.49 44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 108.063 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.26 150.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 153' ' ' LYS . 5.8 p -144.77 113.55 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.0 165.94 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -127.7 150.9 49.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.51 -144.74 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.52 -53.37 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -176.13 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 8.3 mtm180 -134.42 148.28 50.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.735 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -132.88 -172.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.378 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.735 ' N ' HG23 ' A' ' 71' ' ' VAL . 20.3 m-85 -134.3 130.04 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.912 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -123.71 127.82 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -109.75 109.09 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.035 HG23 HG12 ' A' ' 171' ' ' VAL . 2.9 mt -101.37 134.32 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.837 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -120.05 118.7 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -140.19 154.38 46.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 137' ' ' ILE . 23.4 m -125.95 125.22 42.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.9 156.0 29.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -81.91 134.66 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -76.88 147.27 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.78 -20.45 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 108.278 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -84.75 -17.66 37.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.877 HD23 HG11 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -69.17 123.52 88.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.06 3.21 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.84 70.1 1.12 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.609 1.193 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.877 HG11 HD23 ' A' ' 85' ' ' LEU . 10.5 p -86.98 62.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 2.5 mmt 66.58 -62.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.29 27.43 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.637 HG21 ' O ' ' A' ' 50' ' ' MET . 8.6 t -124.7 32.62 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -114.75 133.72 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 164.1 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 95' ' ' THR . 2.2 mt-10 -138.81 67.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 94' ' ' GLU . 5.7 p -159.17 137.77 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.501 ' CZ ' ' HB ' ' A' ' 166' ' ' ILE . 1.3 m-85 -120.62 169.5 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.9 m-80 -127.17 136.24 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 122' ' ' ILE . 6.6 mt -108.41 128.27 54.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 97.5 m-85 -128.22 153.11 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' HG13 ' A' ' 119' ' ' ILE . 16.6 m-85 -140.26 159.57 41.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 156' ' ' TYR . 4.9 p90 -161.13 141.91 11.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 150' ' ' LEU . 2.6 mt-10 -129.6 140.84 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 152' ' ' LYS . 8.0 t -87.6 141.15 28.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.53 176.43 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.07 -40.61 78.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.16 -166.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 108' ' ' GLU . 0.2 OUTLIER 61.7 -171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 84.6 111.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.73 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.28 141.68 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.27 -38.1 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -45.14 95.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -44.6 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -55.97 -37.31 68.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -41.86 134.07 2.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.91 167.3 13.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.81 121.81 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 130.84 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 100' ' ' TYR . 26.3 mm -89.5 -75.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.65 177.31 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.8 m -96.71 130.28 43.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.491 HD13 ' CD1' ' A' ' 98' ' ' LEU . 3.4 pt -116.09 140.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -146.32 166.43 26.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -57.93 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -178.57 -167.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -60.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.28 75.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 36.6 p90 -100.2 121.55 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.9 p -125.58 108.4 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -82.46 108.17 15.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.77 143.06 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.18 93.59 6.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 137' ' ' ILE . 2.1 tt -121.63 160.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.97 13.25 7.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' A' ' 33' ' ' ILE . 8.1 p-10 -79.87 -50.3 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER 163.33 -51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 169' ' ' VAL . 4.3 mt -60.95 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -91.03 -30.29 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -122.01 101.92 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.616 HD21 ' HD3' ' A' ' 76' ' ' LYS . 6.4 tt -85.52 126.45 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.537 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -127.59 128.84 46.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.837 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.8 m -119.05 136.15 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.446 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -125.63 130.84 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 61.0 mt -104.5 132.0 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -130.49 162.15 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.99 141.44 51.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -153.36 165.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.44 168.31 12.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -37.24 2.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.533 1.807 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER 77.47 152.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.584 ' H ' HD13 ' A' ' 150' ' ' LEU . 3.3 m -63.1 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 103' ' ' SER . 3.7 tptt -62.95 -26.81 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.678 ' O ' HG22 ' A' ' 64' ' ' THR . 1.5 mtpt 77.2 49.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -142.74 132.38 5.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 11.9 p90 -142.68 109.7 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -129.17 151.19 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.763 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.5 pt? -135.53 145.96 47.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.07 144.52 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 38.9 p90 -131.07 159.3 37.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.408 ' OE1' ' CD ' ' A' ' 54' ' ' GLN . 3.0 tt0 -137.71 127.41 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.64 ' OD2' ' HB3' ' A' ' 164' ' ' ALA . 0.8 OUTLIER -90.86 113.21 25.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 162' ' ' VAL . 14.0 p -77.42 95.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 33.81 53.01 0.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.385 1.053 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . 0.64 ' HB3' ' OD2' ' A' ' 161' ' ' ASP . . . -133.5 165.23 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.3 t -100.65 119.87 39.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 108.353 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.982 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -147.9 141.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -123.21 157.26 33.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.92 113.74 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.721 HG22 ' CD1' ' A' ' 137' ' ' ILE . 33.5 t -85.71 -55.44 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.4 t -168.47 163.36 12.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.066 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 75' ' ' ILE . 28.9 m -150.59 104.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.89 146.66 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.912 HG13 HG13 ' A' ' 73' ' ' ILE . 21.2 t -123.49 135.14 64.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.696 ' CZ ' ' CB ' ' A' ' 72' ' ' TYR . 4.6 p90 -153.06 149.53 28.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . 0.587 ' CD1' ' HB ' ' A' ' 71' ' ' VAL . 4.4 m-30 -99.8 156.15 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -136.93 151.27 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.74 145.43 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.228 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.04 167.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -78.24 135.45 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 7' ' ' LEU . 6.2 mt -64.88 -53.6 44.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -166.37 135.17 2.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 1.2 m-20 -122.63 160.31 26.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.643 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -62.4 -27.65 69.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -97.7 -40.83 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.7 t -67.18 -17.58 64.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 10' ' ' SER . 7.6 p -63.3 -58.85 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.4 mt-30 84.61 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.551 ' H ' HG22 ' A' ' 13' ' ' VAL . . . -58.65 -125.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 22.1 mt-10 -61.29 -138.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.4 tp 97.43 -9.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' CD1' ' A' ' 19' ' ' TRP . . . -69.48 0.0 21.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 95.99 150.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -121.21 -40.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' O ' ' CE3' ' A' ' 19' ' ' TRP . . . -130.8 -145.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER 79.33 157.75 0.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -74.96 164.6 33.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -69.52 -43.76 72.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.7 mt-10 -151.38 159.67 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.99 -34.61 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.14 -109.87 3.43 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -67.16 140.18 57.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -144.68 150.91 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.53 119.66 37.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.588 ' CG2' ' NE2' ' A' ' 45' ' ' GLN . 13.4 m -133.74 127.54 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.5 m -89.56 126.58 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.9 171.9 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.17 134.83 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -177.37 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.08 -34.95 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -87.39 162.98 17.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.1 172.97 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 12.3 m 61.5 133.58 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 158.35 42.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.054 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.52 154.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -88.01 124.79 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 p -129.54 152.41 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.436 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 4.0 m-85 -118.84 135.93 54.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.588 ' NE2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.75 153.17 43.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 HD21 ' A' ' 56' ' ' ASN . 6.4 p -137.14 118.16 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.26 122.57 22.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -162.34 104.47 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.747 HG11 ' CB ' ' A' ' 92' ' ' CYS . 10.2 t -138.02 84.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.3 mtp -140.47 -97.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.553 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 1.3 mt-10 -85.28 -59.34 0.32 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -75.01 148.68 35.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 p -80.08 -90.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 162' ' ' VAL . 0.8 OUTLIER -52.95 147.99 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.716 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -96.05 -49.06 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.73 HD21 HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 170.09 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.453 ' CD1' ' OE1' ' A' ' 160' ' ' GLN . 20.3 t90 -96.21 137.24 35.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 22' ' ' SER . 1.5 mt -136.8 144.49 43.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' CB ' ' HB2' ' A' ' 158' ' ' ALA . 3.0 ptp180 -135.68 157.28 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -130.76 93.99 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HA ' ' CB ' ' A' ' 156' ' ' TYR . 1.3 p-10 -85.96 -175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 70.42 54.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 108.041 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 156' ' ' TYR . 1.8 tt -148.62 140.93 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.68 131.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' CG ' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -132.32 158.05 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.23 151.6 51.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.84 -159.28 9.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.34 55.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.15 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 150.93 49.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.635 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -132.67 -169.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 71' ' ' VAL . 30.0 m-85 -139.95 130.39 25.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -124.89 127.88 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 115.6 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.531 HG12 HG23 ' A' ' 171' ' ' VAL . 2.0 mt -101.0 130.79 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.04 119.46 39.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 141' ' ' ASN . 24.6 p90 -140.45 161.12 38.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -126.94 127.63 45.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -107.79 143.5 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -88.89 147.0 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -80.67 124.55 29.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -30.12 50.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 108.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -21.92 66.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -93.88 -14.46 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -69.08 137.34 89.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.482 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.09 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.07 74.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 89' ' ' MET . 8.5 p -64.14 -43.31 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.545 ' HB3' HG22 ' A' ' 91' ' ' THR . 0.4 OUTLIER 74.65 -1.97 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.8 23.53 37.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 91' ' ' THR . 2.7 t -139.24 39.22 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.747 ' CB ' HG11 ' A' ' 49' ' ' VAL . 16.9 p -115.09 148.8 38.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.63 164.96 11.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.545 ' HB2' HD22 ' A' ' 79' ' ' LEU . 1.1 pt-20 -149.41 46.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.458 ' CG2' ' C ' ' A' ' 94' ' ' GLU . 6.7 p -150.62 168.14 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -143.41 151.89 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -103.2 138.59 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.033 HD11 HD13 ' A' ' 157' ' ' LEU . 0.7 OUTLIER -109.47 137.72 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -137.01 170.6 15.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 119' ' ' ILE . 38.9 p90 -150.3 162.33 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -152.8 124.7 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.523 ' OE1' HD21 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -126.37 151.82 47.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 t -148.7 165.54 31.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -102.08 172.99 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.306 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 3.1 m120 -57.21 -42.08 80.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER 162.35 131.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.34 -93.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 110' ' ' PHE . 3.3 pm0 -116.62 -33.39 4.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.64 88.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 108' ' ' GLU . 59.7 m-85 -71.35 143.95 50.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.53 -40.25 73.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 3.3 mtm105 -67.62 -51.24 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.06 -44.78 71.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -33.8 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.54 140.67 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -61.87 157.85 17.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 100' ' ' TYR . 17.2 t -139.97 119.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -83.51 142.59 30.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 100' ' ' TYR . 33.1 mm -84.64 -72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -169.04 178.25 4.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.4 m -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -114.61 143.36 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.59 164.82 29.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.85 92.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER 175.0 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 69.86 -60.94 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.8 OUTLIER -137.16 108.16 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 29.1 p90 -123.33 123.19 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.8 m -108.6 142.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.15 108.78 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.55 143.04 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.73 93.45 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.501 HG23 ' OD1' ' A' ' 135' ' ' ASP . 5.6 tt -121.91 160.24 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -128.04 19.53 5.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 133' ' ' ILE . 27.6 p-10 -80.4 -50.98 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.7 -77.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 137' ' ' ILE . 5.0 tp -76.8 108.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -92.74 4.24 54.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 101.48 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.1 mm? -85.63 133.36 34.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -97.76 124.46 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.14 123.82 41.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 13.9 mm-40 -115.92 129.84 56.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 68.0 mt -103.07 133.53 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 176.2 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -136.46 141.3 43.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -158.18 166.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.562 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 147.63 -47.51 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.0 Cg_endo -74.98 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.523 HD21 ' OE1' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -178.26 104.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 59.3 p -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -29.75 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 -159.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 39.21 67.74 0.56 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 102' ' ' GLU . 7.3 p90 -132.92 167.94 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.476 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 8.0 p90 -135.57 -178.72 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 1.033 HD13 HD11 ' A' ' 98' ' ' LEU . 1.2 pp -130.55 151.35 51.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.552 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . . . -134.52 158.29 44.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.894 ' CE2' HD11 ' A' ' 157' ' ' LEU . 96.3 m-85 -121.66 154.23 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.453 ' OE1' ' CD1' ' A' ' 57' ' ' TRP . 0.8 OUTLIER -134.7 129.61 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.616 ' OD1' HD12 ' A' ' 166' ' ' ILE . 0.2 OUTLIER -99.05 102.43 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 162' ' ' VAL . 1.1 p -99.36 95.23 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 47.31 47.18 21.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.73 164.65 28.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 76.0 m -121.13 100.39 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.698 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -133.61 152.83 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -124.36 155.99 37.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.5 mt -107.8 105.88 15.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.87 -56.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.1 t -174.37 173.15 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 171' ' ' VAL . 5.4 p -148.01 103.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.433 ' CG ' ' OD1' ' A' ' 9' ' ' ASP . 7.0 tmm_? -101.84 146.13 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 73' ' ' ILE . 72.3 t -107.18 154.07 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.416 ' CD1' ' NH1' ' A' ' 172' ' ' ARG . 1.5 t80 -152.66 163.1 40.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 176' ' ' LYS . 13.4 t80 -144.5 158.54 43.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 175' ' ' TYR . 1.3 tppt? -134.02 146.08 50.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.396 1.06 . . . . 0.0 109.272 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -89.16 153.35 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.62 159.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -83.04 135.25 34.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 65' ' ' ARG . 4.0 tt -80.92 -69.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -134.51 120.18 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 52.2 m-20 -123.53 146.99 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 171' ' ' VAL . 6.8 t -80.77 -31.13 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 41' ' ' ILE . 59.3 ttp85 -80.14 -45.23 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 4.1 t -57.83 -31.32 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' GLN . 10.3 p -85.55 -47.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER 73.2 -56.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -54.57 -163.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -53.8 163.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.55 -15.16 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 113.1 31.41 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.3 p-90 -41.36 130.12 2.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.425 HD11 ' OD1' ' A' ' 61' ' ' ASP . 2.7 mt -117.26 -56.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.608 ' O ' HD11 ' A' ' 58' ' ' LEU . . . -102.27 -179.66 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 p 157.56 148.7 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.437 ' HD3' ' ND2' ' A' ' 56' ' ' ASN . 18.2 Cg_endo -75.03 -178.45 4.18 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -67.8 -44.1 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mt-10 162.28 163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.21 -31.51 6.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.51 -89.95 1.32 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.1 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 25.8 mt-10 -138.45 144.52 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.43 117.41 34.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.578 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -134.15 137.37 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.6 p -89.68 126.95 35.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -130.51 171.66 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.39 127.61 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.21 -172.31 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.76 -31.98 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -96.68 166.51 11.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.12 -64.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -52.13 118.34 12.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.41 42.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.3 pt -124.16 150.85 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -78.52 125.47 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -116.63 -170.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HB2' HD23 ' A' ' 168' ' ' LEU . 52.9 m-85 -141.09 138.67 33.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.592 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 20.4 mp0 -125.91 134.11 51.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.4 p -137.65 108.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 23.0 t -130.77 129.12 42.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 171.43 103.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 163' ' ' GLY . 23.8 m -102.06 -22.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -26.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -81.31 176.62 3.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' SER . 18.0 Cg_endo -75.06 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' PRO . 14.0 p -30.31 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 160' ' ' GLN . 11.1 mt-30 -85.99 151.22 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -118.25 -38.44 3.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 57' ' ' TRP . 4.8 t-20 -147.86 149.91 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.378 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.449 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 21.8 t90 -119.73 134.43 55.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 108.03 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.608 HD11 ' O ' ' A' ' 21' ' ' ALA . 1.8 tp -138.92 139.93 38.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 162.15 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.75 143.77 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.0 OUTLIER 174.94 -177.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.75 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.1 mt -141.37 138.62 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.57 144.84 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.834 ' HG2' HD11 ' A' ' 7' ' ' LEU . 1.3 tpm_? -131.18 155.23 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.228 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.84 152.51 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -142.98 -179.07 19.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.27 71.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.461 ' HA ' ' CD ' ' A' ' 149' ' ' PRO . 4.0 tt0 -171.02 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -138.73 146.29 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 147' ' ' VAL . 14.6 m -133.59 -173.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 174' ' ' PHE . 5.4 m-85 -139.1 130.62 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.564 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -121.79 127.76 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 15.5 pt-20 -114.55 118.08 32.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -107.82 151.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 3.8 mttt -131.44 119.89 22.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 75' ' ' ILE . 11.1 m-85 -139.39 161.25 37.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -136.9 127.17 26.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.64 163.04 26.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -86.18 138.47 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.733 ' O ' HD13 ' A' ' 85' ' ' LEU . 39.9 m-20 -66.1 127.4 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -85.11 -26.85 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.51 -24.85 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -92.85 -11.57 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.733 HD13 ' O ' ' A' ' 81' ' ' ASP . 1.8 mp -73.9 116.39 51.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.7 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.91 57.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.618 HG22 ' SG ' ' A' ' 82' ' ' CYS . 0.9 OUTLIER -45.69 -51.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.544 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 5.0 ttt 84.51 -42.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.72 -24.4 13.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 89' ' ' MET . 1.7 t -84.17 21.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.3 126.96 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER -103.73 166.79 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.442 ' C ' HG23 ' A' ' 95' ' ' THR . 8.6 pt-20 -143.63 35.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 123' ' ' ALA . 62.0 p -152.1 162.0 41.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 166' ' ' ILE . 31.6 m-85 -129.3 164.96 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 62.4 m-80 -129.29 119.63 24.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 140.37 39.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.247 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 97' ' ' ASN . 50.4 m-85 -136.37 160.31 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.8 p90 -135.55 167.39 21.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -160.02 115.28 2.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.02 135.21 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.6 t -165.72 170.1 14.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -85.39 -179.72 7.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.31 -40.42 93.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.65 141.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -57.06 171.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -88.56 170.66 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -161.76 -60.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -70.67 142.65 51.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.1 pt -78.04 -31.07 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.197 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -66.73 -43.03 85.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.72 64.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -57.08 -45.66 83.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.61 113.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -76.15 165.33 25.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 40.4 t -120.46 124.54 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -56.59 140.34 46.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ILE . 16.3 mm -82.91 -67.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.01 160.97 10.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 m -90.96 123.08 34.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.405 ' CG1' ' HB2' ' A' ' 96' ' ' PHE . 4.0 pt -115.7 144.52 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.569 ' HB2' HG22 ' A' ' 95' ' ' THR . . . -148.01 165.47 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.96 93.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.6 OUTLIER 174.64 -164.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 3.9 tt0 67.97 -61.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.5 OUTLIER -117.34 95.17 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 28.5 p90 -118.9 122.91 43.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 66.2 p -132.54 122.42 24.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.82 110.24 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.0 143.12 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.56 96.07 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -122.22 153.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.39 -32.19 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.3 -54.6 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.391 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 172.51 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG21 ' A' ' 133' ' ' ILE . 2.1 mt 74.7 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.77 -23.56 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -112.1 103.43 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.6 mm? -85.02 117.48 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.5 OUTLIER -111.54 125.15 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.4 m -122.76 132.78 54.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.085 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.21 131.11 41.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.97 144.27 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.75 171.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.25 142.72 44.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.1 t -145.83 152.63 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.26 169.96 16.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.12 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.07 140.28 17.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.1 p -62.04 -40.33 95.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.0 -36.03 79.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 65.83 120.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 144.37 76.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.624 ' CE2' HD21 ' A' ' 157' ' ' LEU . 6.3 p90 -93.17 130.58 38.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.54 140.67 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 155' ' ' PHE . 1.9 mm? -105.93 141.45 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.71 134.7 28.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 p90 -145.58 145.1 30.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 54' ' ' GLN . 17.1 tt0 -130.17 138.66 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.55 119.15 32.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 163' ' ' GLY . 0.7 OUTLIER -80.77 84.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.749 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 29.07 65.94 0.1 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -136.36 164.53 27.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 84.6 m -103.8 99.91 9.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -141.42 151.52 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -129.32 153.35 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 77' ' ' PHE . 2.2 mm? -87.37 115.8 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.437 ' HB ' ' C ' ' A' ' 76' ' ' LYS . 43.1 t -85.32 -55.92 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . 0.401 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 1.4 t -166.31 164.8 17.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 171' ' ' VAL . 2.3 m -150.24 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 3.5 mtp180 -112.39 161.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.564 HG13 HG13 ' A' ' 73' ' ' ILE . 91.9 t -145.35 139.2 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 174' ' ' PHE . 1.2 p90 -152.76 169.04 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -125.0 150.27 46.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.28 121.18 17.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 151.28 23.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -102.59 158.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -75.92 139.56 41.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 174' ' ' PHE . 4.3 mm? -70.64 -58.87 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.74 115.22 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.379 1.049 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 49.3 t0 -110.74 151.2 28.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.9 m -90.66 -31.16 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.51 -45.4 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -56.5 -33.16 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.492 ' CG2' HD21 ' A' ' 17' ' ' LEU . 9.5 m -89.83 -40.16 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 75.47 -56.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.14 171.97 5.99 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -57.65 157.52 7.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 13' ' ' VAL . 4.4 mm? -112.5 -14.6 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 35.36 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' ALA . 2.2 p-90 -75.16 133.39 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 20' ' ' ILE . 4.7 mt -134.93 57.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 1.134 ' HB3' HD13 ' A' ' 58' ' ' LEU . . . -138.49 135.87 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 5.7 p 179.89 136.55 0.28 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.3 mm? -76.09 -41.24 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.6 mt-10 163.35 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.37 26.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.28 -115.09 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.83 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -64.15 122.64 17.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 32.4 mt-10 -124.58 145.61 49.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.12 115.04 28.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -132.79 127.36 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -86.13 137.33 32.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG22 ' OD1' ' A' ' 135' ' ' ASP . 1.1 pp -120.47 170.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 ttp -87.04 127.63 35.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -107.51 179.57 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -21.61 24.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.19 169.55 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -65.29 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -48.68 115.71 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 156.61 43.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -111.67 153.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 16' ' ' GLU . 7.8 ptp180 -87.05 125.28 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.82 163.82 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 6.3 m-85 -117.59 137.18 52.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.56 144.87 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.86 150.08 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -164.05 105.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.56 104.13 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' THR . 7.0 p -137.5 125.63 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.383 1.052 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -173.34 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 179.2 -58.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 p -111.4 94.9 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 161' ' ' ASP . 24.1 mt-30 -85.03 131.11 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.8 87.31 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.217 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -65.84 122.32 17.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.662 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.1 t90 -74.75 123.24 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.134 HD13 ' HB3' ' A' ' 21' ' ' ALA . 1.2 mm? -131.51 131.59 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' NH2' ' CE2' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -110.06 151.1 27.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -131.83 164.35 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' THR . 3.1 t70 82.37 162.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -142.62 -60.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -113.93 137.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' HD1' ' A' ' 155' ' ' PHE . 58.8 m -76.43 145.42 39.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -115.29 160.03 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.24 172.96 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.83 166.55 27.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.0 -90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -116.36 -37.58 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 176' ' ' LYS . 0.0 OUTLIER -136.6 155.45 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 m -132.18 -177.78 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -121.99 130.8 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.782 HD13 ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -135.74 143.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.782 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 mt-10 -134.9 150.43 50.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.505 HG23 HG13 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -135.13 139.2 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.75 118.01 32.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -140.74 159.36 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 140' ' ' LEU . 6.0 p -130.68 125.32 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.802 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -125.09 153.53 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.369 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -84.51 127.84 34.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.22 123.75 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.29 -21.62 63.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -87.04 -20.98 26.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.853 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -67.82 159.43 79.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.853 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.98 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.443 1.76 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 88' ' ' VAL . . . -66.21 -48.69 62.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER 87.29 -20.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.15 -58.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.07 28.09 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 91' ' ' THR . 2.2 t -147.13 43.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.9 131.32 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -106.05 155.73 19.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.03 42.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 25.5 p -139.03 137.11 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -120.83 138.47 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.02 145.62 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.88 HD21 HD11 ' A' ' 122' ' ' ILE . 2.2 mt -117.5 142.31 47.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -138.15 157.16 46.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -100.01 168.1 10.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 87.8 t80 -162.54 101.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.177 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.26 154.74 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.34 162.02 40.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -99.23 154.13 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.03 -25.13 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.4 88.86 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.97 116.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.46 175.24 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 56.78 165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -73.04 137.83 45.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 pp -85.25 -37.39 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -57.98 -51.82 68.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -51.37 70.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 6.8 m-80 -57.56 -51.48 69.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 10.5 pt20 48.34 -176.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -81.93 164.58 21.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.71 113.61 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -59.04 128.1 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 100' ' ' TYR . 2.0 mm -86.5 -70.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.46 ' O ' HD12 ' A' ' 98' ' ' LEU . 2.6 t0 -169.88 178.86 3.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.2 m -108.08 128.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.88 HD11 HD21 ' A' ' 98' ' ' LEU . 5.4 pt -117.04 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.59 166.27 23.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -73.03 170.56 14.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 2.6 t70 89.13 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' ASP . 45.5 mm-40 -37.96 -41.38 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 m -149.24 61.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 4.8 p90 -66.47 122.26 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.8 m -129.37 145.41 51.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -107.04 107.81 19.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 138' ' ' MET . 10.2 p -120.77 144.5 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.16 92.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -122.72 150.17 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.6 8.81 10.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.444 ' OD1' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.77 -54.34 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 137' ' ' ILE . 1.6 mtm-85 163.07 157.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.479 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 4.7 tp 42.66 94.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' VAL . 2.0 ttm -83.82 15.2 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.99 100.95 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.593 ' HA ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -85.58 138.29 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.79 125.11 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 m -123.05 139.48 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -129.27 130.1 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -97.13 124.67 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.756 ' HD3' HD13 ' A' ' 98' ' ' LEU . 2.2 ttm105 -129.65 165.47 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.375 1.047 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.546 ' O ' HG13 ' A' ' 147' ' ' VAL . 2.9 p30 -136.4 161.81 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 146' ' ' ASP . 1.1 m -156.13 154.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -101.61 147.51 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.598 1.186 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.48 12.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 150' ' ' LEU . 3.2 mm? -77.29 145.78 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -45.24 94.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -26.35 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt 79.03 109.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 151.12 58.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.724 ' HD1' HG23 ' A' ' 64' ' ' THR . 1.8 p90 -89.94 127.25 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -129.68 134.08 47.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.883 HD22 ' H ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -109.23 144.65 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.883 ' H ' HD22 ' A' ' 157' ' ' LEU . . . -141.46 151.65 43.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 p90 -130.56 156.14 45.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -131.75 122.26 25.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 54' ' ' GLN . 19.2 t70 -100.9 133.25 45.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' GLY . 1.2 m -133.25 126.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 36.68 60.3 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 141.71 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.04 101.36 11.13 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -137.26 155.05 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.02 150.24 50.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 168' ' ' LEU . 2.8 mm? -96.12 113.11 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.571 HG21 HG23 ' A' ' 78' ' ' THR . 40.1 t -83.94 -55.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.6 m -168.29 -176.99 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.505 HG13 HG23 ' A' ' 75' ' ' ILE . 19.4 t -143.62 156.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -139.6 154.81 47.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.8 140.36 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.922 ' HA ' HD23 ' A' ' 7' ' ' LEU . 32.0 t80 -152.39 168.43 25.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . 0.735 ' HD2' HD21 ' A' ' 7' ' ' LEU . 1.2 p90 -129.5 167.89 17.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -137.21 155.95 48.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 174' ' ' PHE . 4.1 tp10 -126.58 156.93 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -106.68 159.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -102.25 143.18 32.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -73.19 -66.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 125.49 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.789 ' O ' HG13 ' A' ' 13' ' ' VAL . 39.8 t0 -126.85 146.86 50.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.826 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.58 -31.55 69.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG21 ' A' ' 41' ' ' ILE . 1.6 ttp180 -79.94 -37.29 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 32.3 t -63.9 -28.86 70.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 9' ' ' ASP . 5.7 m -89.27 -39.54 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 74.19 -57.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.26 -155.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -56.2 142.2 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.826 HD22 ' HB2' ' A' ' 10' ' ' SER . 14.1 tp -106.06 -14.78 15.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.79 8.26 34.88 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.41 ' CD1' ' OH ' ' A' ' 44' ' ' TYR . 64.6 p-90 -60.59 127.13 30.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -138.24 54.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -135.41 161.26 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 3.5 p 164.76 114.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.9 mp -66.17 -44.41 84.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.1 mt-10 160.51 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.96 -32.65 4.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.825 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -66.34 -119.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -65.7 140.11 58.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 17.7 mt-10 -141.23 150.26 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.34 124.35 37.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG11 ' NE2' ' A' ' 45' ' ' GLN . 3.8 p -135.0 138.3 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 m -104.45 124.72 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.57 172.3 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -85.78 144.11 27.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.06 -179.57 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 6.1 pt-20 -56.76 -33.19 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -94.49 169.63 10.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.218 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.72 164.63 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.0 m 60.98 125.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 34' ' ' MET . 18.1 Cg_endo -75.08 156.41 42.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -123.9 145.96 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -72.3 125.89 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -120.72 178.91 4.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 17.0 m-85 -143.36 138.17 29.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.626 ' NE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.87 150.69 46.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' C ' ' A' ' 27' ' ' GLY . 8.5 p -136.95 115.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -132.78 126.74 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -173.2 103.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.73 106.42 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' GLU . 2.1 mtm 169.56 38.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.575 ' N ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 mt-10 37.05 55.71 3.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -74.92 0.8 8.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m 47.04 45.75 15.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.483 ' CG ' ' HB2' ' A' ' 52' ' ' PRO . 2.3 mt-30 -87.19 137.22 32.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.2 91.46 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -83.73 116.84 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.534 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 26.8 t90 -104.4 115.99 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' A' ' 158' ' ' ALA . 3.0 mt -134.54 124.54 25.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 7.5 ptm180 -129.62 144.02 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.575 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 52.3 m -123.33 93.7 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 156' ' ' TYR . 2.1 t70 -142.91 -78.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 83.34 -72.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.04 148.56 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -129.79 165.97 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 173.69 8.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 155' ' ' PHE . . . -167.54 -176.13 38.0 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.65 -155.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -37.73 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.46 44.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -140.83 168.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.551 ' N ' HG23 ' A' ' 71' ' ' VAL . 12.8 m-85 -134.55 144.24 47.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 72' ' ' TYR . 1.3 mp -135.13 130.85 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 5.9 pt-20 -117.59 109.78 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 HG23 ' A' ' 171' ' ' VAL . 0.9 OUTLIER -100.67 130.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -113.75 117.86 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 141' ' ' ASN . 12.7 p90 -141.3 161.57 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -122.78 127.18 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 80' ' ' ARG . 3.4 tt -108.83 133.09 53.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.818 ' N ' HD23 ' A' ' 79' ' ' LEU . 20.5 mmt85 -77.87 113.15 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.7 123.87 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.495 ' O ' HG11 ' A' ' 88' ' ' VAL . 11.3 m -70.02 -35.56 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -22.32 66.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -17.52 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 122.81 69.99 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.23 9.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.19 78.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 82' ' ' CYS . 4.9 p -58.59 -42.81 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 91' ' ' THR . 5.9 mmt 63.72 153.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.7 41.74 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 89' ' ' MET . 6.5 t -134.15 31.94 3.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.9 138.72 49.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 134.23 33.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.23 33.71 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.5 p -136.55 127.0 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -105.97 133.51 50.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -91.07 130.24 36.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 122' ' ' ILE . 2.0 tp -114.61 121.27 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 97' ' ' ASN . 73.7 m-85 -121.6 149.06 43.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CD1' HG13 ' A' ' 119' ' ' ILE . 3.5 m-85 -124.63 162.63 23.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -161.16 129.22 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.47 134.21 52.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 153' ' ' LYS . 0.6 OUTLIER -166.53 155.18 10.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -104.4 167.03 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -39.94 77.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.72 78.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 165.35 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 48.44 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -66.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.31 132.88 38.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -84.31 -26.92 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.99 -42.79 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -54.74 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -66.01 -51.59 56.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 55.98 170.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -81.02 167.53 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.5 t -122.38 122.66 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -83.59 127.81 34.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.596 HG13 ' CD1' ' A' ' 100' ' ' TYR . 9.2 mm -86.88 -80.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -166.26 177.42 6.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 75.0 m -101.69 130.26 48.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.512 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -114.12 140.56 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -142.87 168.5 19.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . . . -55.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 127' ' ' SER . 3.1 t0 179.91 -159.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.17 . . . . 0.0 109.245 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 68.76 -61.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' ASP . 2.8 t -148.4 80.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 128' ' ' PHE . 30.6 p90 -116.86 126.99 53.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.4 m -121.04 143.31 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -101.13 109.12 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.59 141.69 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -83.52 93.83 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -122.12 146.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.63 13.21 46.79 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.73 -54.01 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 168.37 -67.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 1.0 OUTLIER -52.91 109.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.2 ttt -96.15 -31.88 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 100.31 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.12 135.54 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -117.23 129.78 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.04 126.99 53.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -137.67 130.63 30.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.7 mt -121.42 148.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.51 161.92 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 2.1 p-10 -128.84 159.34 36.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.69 HG22 ' HD3' ' A' ' 149' ' ' PRO . 2.9 p -158.32 164.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.72 65.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.717 ' C ' HD23 ' A' ' 150' ' ' LEU . 18.1 Cg_endo -75.1 -79.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.717 HD23 ' C ' ' A' ' 149' ' ' PRO . 0.4 OUTLIER -112.17 124.75 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 88.1 p -71.11 -39.54 72.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -28.37 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.654 ' HG3' HD12 ' A' ' 150' ' ' LEU . 6.9 mmmt -89.4 162.48 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 155' ' ' PHE . . . -78.96 -163.53 25.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.592 1.183 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 67' ' ' GLY . 23.3 m-85 -142.22 121.14 12.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 60' ' ' THR . 4.4 m-85 -158.04 166.09 33.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 pt? -149.37 150.16 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -123.23 158.6 30.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 161' ' ' ASP . 7.2 t80 -120.2 156.84 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.486 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 0.0 OUTLIER -139.71 133.56 30.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 159' ' ' PHE . 20.7 t70 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 162' ' ' VAL . 5.2 m -137.28 98.76 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 42.0 63.87 1.64 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -139.79 163.34 32.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 98.7 m -109.64 99.13 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.97 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -148.32 133.47 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -111.37 152.5 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.33 105.85 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 76' ' ' LYS . 12.7 t -75.67 -56.6 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.5 t -168.55 168.82 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.585 HG23 HG23 ' A' ' 75' ' ' ILE . 2.8 p -150.43 113.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.463 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -109.1 162.44 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.358 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.5 156.27 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 4' ' ' GLU . 20.9 t80 -149.67 169.47 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -147.84 175.13 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.06 145.88 48.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 174' ' ' PHE . 0.5 OUTLIER -95.82 155.01 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.03 151.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -92.85 148.19 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 4.8 tp -65.72 -50.21 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CB ' HD11 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -165.83 139.69 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 33.2 t0 -115.45 159.37 21.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.474 ' C ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.72 -27.43 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD2' HG21 ' A' ' 41' ' ' ILE . 11.0 ttp-105 -94.76 -46.64 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.369 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 5.3 t -57.67 -32.01 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 17' ' ' LEU . 12.7 p -65.33 -49.42 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' N ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-30 69.13 -58.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -51.62 -173.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.29 148.18 9.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 13' ' ' VAL . 6.2 mp -114.52 -12.64 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 89.65 24.7 29.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' A' ' 17' ' ' LEU . 25.6 m-90 -41.59 126.79 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -150.78 29.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . . . -121.45 151.25 40.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.8 p 158.18 113.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.11 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.4 mm? -66.04 -43.5 87.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mt-10 163.73 137.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.97 -36.37 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.601 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -60.45 -118.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.764 ' HE1' HD12 ' A' ' 168' ' ' LEU . 0.4 OUTLIER -64.89 134.1 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 3.8 mt-10 -145.23 154.66 42.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 125.8 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.605 ' CG1' ' NE2' ' A' ' 45' ' ' GLN . 3.7 p -135.41 135.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.1 m -96.72 125.88 41.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.82 171.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.0 ttt -82.1 139.6 34.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -111.63 -176.26 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.375 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -19.08 11.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -101.19 172.95 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.17 -65.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t -55.35 131.95 69.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.93 160.27 40.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.563 HG21 ' HD2' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -127.59 141.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -70.06 129.06 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -126.09 155.33 41.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.608 ' CD1' ' CD2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -118.7 136.05 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.605 ' NE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -148.61 155.11 40.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 27' ' ' GLY . 9.0 p -136.67 116.52 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 31.8 t -126.38 116.51 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.389 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -157.64 103.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.5 t -140.5 89.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.1 ttt -118.68 -35.38 3.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.8 mt-10 165.34 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.94 127.89 11.09 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.419 1.747 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.454 ' HB3' ' CG2' ' A' ' 162' ' ' VAL . 1.2 m -73.86 105.65 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.059 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.56 149.79 29.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.78 95.58 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.448 ' OD1' HG21 ' A' ' 46' ' ' VAL . 15.5 m-80 -88.02 118.15 27.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -80.69 125.0 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 159' ' ' PHE . 38.6 tp -138.67 125.6 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.221 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 117.23 11.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -134.04 145.91 49.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.5 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.1 OUTLIER 173.51 144.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.82 37.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 107.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 173' ' ' VAL . 8.3 mm -138.39 167.14 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -157.25 140.82 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -132.21 138.05 47.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 10.5 pt-20 -130.52 176.85 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.79 -87.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.5 158.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -103.38 -37.72 7.51 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 10.3 mtm-85 -107.38 150.61 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.9 m -136.6 179.22 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.554 ' C ' HD12 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -142.32 132.06 24.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.554 HD12 ' C ' ' A' ' 72' ' ' TYR . 3.7 mp -137.54 151.97 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' C ' HD13 ' A' ' 75' ' ' ILE . 2.8 mt-10 -135.96 137.61 41.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.791 HG23 HG12 ' A' ' 171' ' ' VAL . 0.4 OUTLIER -120.37 131.29 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 142' ' ' THR . 1.2 mttt -110.08 119.26 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 141' ' ' ASN . 13.6 p90 -139.79 162.24 35.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.871 ' HB ' HG21 ' A' ' 137' ' ' ILE . 1.5 p -124.74 127.45 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -106.21 141.81 36.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -79.01 148.92 32.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 54.6 m-20 -73.95 121.24 20.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.52 -22.67 43.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.278 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.63 -21.91 66.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -18.43 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -65.93 119.38 60.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.02 73.14 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 113.6 29.24 2.97 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -40.09 -30.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 87' ' ' GLY . 9.5 mmt 62.63 -99.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.41 24.59 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -105.45 15.19 27.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -114.04 126.07 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.356 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 164.94 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.61 43.0 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 48.6 p -129.87 144.15 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -132.69 154.04 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -107.68 147.18 31.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD11 HD13 ' A' ' 122' ' ' ILE . 21.9 mt -108.69 143.53 37.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE1' ' N ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -144.48 161.9 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.947 ' CD1' HD11 ' A' ' 119' ' ' ILE . 9.2 p90 -159.73 160.47 34.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -162.58 116.51 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -156.83 135.62 11.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.16 171.65 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -74.18 177.07 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -54.97 -39.34 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.3 155.4 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.07 109.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 2.3 tt0 178.12 167.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER 85.58 -43.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.52 142.45 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.0 pt -59.62 -35.07 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -63.52 -52.62 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -45.95 91.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.1 -44.01 96.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -47.28 131.12 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.377 1.048 . . . . 0.0 110.264 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -76.23 -174.91 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 100' ' ' TYR . 4.1 t -139.99 115.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.609 ' N ' ' CE1' ' A' ' 99' ' ' TYR . 11.7 tttt -66.67 134.91 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.947 HD11 ' CD1' ' A' ' 100' ' ' TYR . 22.3 mm -86.64 -65.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.79 178.9 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.4 m -103.86 127.92 51.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.642 HG22 ' HG3' ' A' ' 143' ' ' GLU . 0.6 OUTLIER -107.45 142.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.21 164.9 26.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -66.65 175.79 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.475 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 1.3 m-20 79.61 -155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 71.52 -63.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.0 81.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 125' ' ' ASP . 1.0 OUTLIER -94.32 122.98 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.9 p -128.87 118.6 22.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.57 108.06 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.31 143.56 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.66 93.15 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -97.38 148.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -119.09 -18.0 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -75.99 -57.61 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.517 ' HB3' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER 169.46 177.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.871 HG21 ' HB ' ' A' ' 78' ' ' THR . 2.5 mp 49.62 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 ttt -93.18 16.58 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -121.45 100.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.3 mm? -86.41 140.74 29.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -129.0 123.63 32.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.8 m -123.88 134.31 53.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.7 tm-20 -119.0 131.28 55.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.73 116.75 35.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' ILE . 7.5 mmm180 -114.15 141.75 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -137.13 157.13 47.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.5 t -126.81 166.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 -71.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 155' ' ' PHE . 0.1 OUTLIER 175.88 58.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -35.26 76.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -24.0 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 77.14 149.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.423 ' O ' HD21 ' A' ' 150' ' ' LEU . . . 63.95 135.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 155' ' ' PHE . 2.6 p90 -142.62 141.85 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -99.91 145.85 27.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 157' ' ' LEU . 1.8 mm? -102.52 141.06 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . . . -141.78 134.7 28.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.901 ' HB2' HD23 ' A' ' 58' ' ' LEU . 57.2 m-85 -125.29 146.79 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.44 114.5 13.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . 0.445 ' OD1' HD12 ' A' ' 166' ' ' ILE . 34.0 m-20 -96.04 136.91 35.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 162' ' ' VAL . 8.1 p -137.15 116.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 37.47 62.2 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 163.11 39.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 99.4 m -123.28 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -136.91 143.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' OG1' ' A' ' 78' ' ' THR . . . -117.48 153.09 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.764 HD12 ' HE1' ' A' ' 28' ' ' TRP . 6.8 mt -101.69 105.7 16.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 78' ' ' THR . 55.3 t -77.99 -56.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -167.53 167.12 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.078 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.791 HG12 HG23 ' A' ' 75' ' ' ILE . 5.9 m -140.99 115.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' ILE . 11.1 mtp180 -102.65 155.38 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 63' ' ' ILE . 90.4 t -129.59 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 t80 -152.26 169.56 22.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 65' ' ' ARG . 29.4 p90 -123.4 175.09 6.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -134.23 98.72 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 154.91 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.643 1.214 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.1 161.8 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.612 HG21 ' OD2' ' A' ' 9' ' ' ASP . 9.8 t -77.06 148.95 35.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 173' ' ' VAL . 2.0 tt -77.28 -60.18 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -149.84 145.89 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -128.45 146.39 50.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 p -84.4 -31.67 24.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -39.7 81.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -56.26 -29.49 61.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.927 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' GLN . 1.1 m -89.77 -41.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 13' ' ' VAL . 15.3 pt20 45.46 106.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.92 -142.89 14.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.34 121.69 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.2 mm? -102.06 -11.82 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.11 51.76 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 p-90 -66.92 149.41 50.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tt -132.18 63.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -124.84 136.89 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 2.6 t 159.13 112.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.94 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -64.23 -37.21 86.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.3 mt-10 161.46 138.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.05 -29.82 9.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.783 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -70.49 -113.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.793 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -65.12 140.29 58.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -145.67 150.1 35.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' CH2' ' A' ' 28' ' ' TRP . 39.6 mt-10 -95.9 111.01 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.49 132.32 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.4 p -97.03 126.89 42.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 171.15 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.8 134.32 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' ILE . 1.1 p-10 -102.8 169.77 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -54.45 -21.33 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.01 167.69 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.24 156.28 22.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 29.4 m 61.72 133.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 161.1 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.413 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.6 pt -121.92 149.11 25.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 125.34 28.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.4 p -123.01 157.25 33.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -118.31 136.96 53.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.753 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -141.72 143.83 33.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.793 HG23 ' N ' ' A' ' 28' ' ' TRP . 13.8 p -133.42 106.69 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 164' ' ' ALA . 5.9 t -132.09 113.34 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 108.343 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.61 103.45 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 ' CB ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -115.7 -12.38 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -65.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 54' ' ' GLN . 3.7 mm-40 -53.95 153.94 8.14 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.9 p 39.33 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 8.1 mm100 -78.15 148.48 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.17 93.68 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -101.62 121.3 41.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.751 ' C ' HD12 ' A' ' 58' ' ' LEU . 18.3 t90 -78.74 116.02 18.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.751 HD12 ' C ' ' A' ' 57' ' ' TRP . 10.1 mp -133.88 140.23 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 157' ' ' LEU . 7.6 mpt_? 66.47 131.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 157' ' ' LEU . 2.8 m -138.42 -74.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.654 ' CB ' ' CD2' ' A' ' 156' ' ' TYR . 14.2 p-10 -124.43 -165.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -167.9 -157.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 108.002 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.422 ' O ' ' CB ' ' A' ' 155' ' ' PHE . 1.5 tt -117.02 152.16 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 t -72.42 145.68 47.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -127.1 164.57 21.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.51 -177.91 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.3 -161.2 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.75 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -38.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -174.27 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 147' ' ' VAL . 3.4 m -130.84 -167.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 174' ' ' PHE . 4.6 m-85 -144.6 130.33 19.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 144' ' ' ILE . 1.4 mt -122.86 148.61 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 10.3 pt-20 -128.13 119.95 26.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.026 HG23 HG12 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -111.42 128.31 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -112.59 118.49 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 141' ' ' ASN . 14.9 p90 -140.44 161.75 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.852 HG21 HG22 ' A' ' 137' ' ' ILE . 2.3 m -120.8 146.28 46.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.448 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -120.74 139.79 52.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.232 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.803 ' HD3' HD21 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -93.39 127.8 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.3 p30 -61.93 139.52 58.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.32 -21.59 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -77.99 -24.08 48.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -91.94 -16.97 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.803 HD21 ' HD3' ' A' ' 80' ' ' ARG . 1.3 mp -75.47 115.62 47.21 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.93 79.73 0.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 12.2 p -114.35 40.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 63.97 -64.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.035 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.88 21.25 4.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.392 1.058 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -128.63 50.02 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.544 ' CB ' HG11 ' A' ' 49' ' ' VAL . 22.5 p -115.08 131.67 56.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.9 165.72 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -135.57 26.38 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.2 p -140.74 156.44 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 166' ' ' ILE . 40.5 m-85 -141.36 157.6 44.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.54 122.04 46.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -109.2 145.23 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.825 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 23.1 m-85 -144.2 165.42 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.42 ' CZ ' HD21 ' A' ' 157' ' ' LEU . 0.6 OUTLIER -127.56 170.67 12.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -155.31 149.4 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -153.3 151.76 30.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 p -150.54 151.79 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.53 174.7 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.01 -40.88 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -58.1 -62.97 1.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.72 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 34.8 mm-40 -90.12 -95.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -159.6 30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 108' ' ' GLU . 97.1 m-85 -72.47 144.6 48.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.0 -29.28 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -33.58 75.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -34.16 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.55 -44.47 86.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.61 118.43 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -68.97 175.87 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.0 t -114.77 110.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -73.02 134.29 44.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.689 HG23 ' HE ' ' A' ' 145' ' ' ARG . 48.3 mm -104.93 -96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 119' ' ' ILE . 3.3 t0 -169.02 178.23 4.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 1.0 OUTLIER -98.67 134.17 41.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.463 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -117.12 141.32 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.8 165.87 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 128' ' ' PHE . . . -58.28 108.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER 167.21 -37.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 73.1 mm-40 -37.1 -44.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.97 60.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -67.56 120.9 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.7 m -123.82 144.24 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.14 107.6 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.406 HG12 HD23 ' A' ' 140' ' ' LEU . 5.9 p -116.66 143.57 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.5 91.85 8.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 136' ' ' ARG . 1.5 tt -123.98 149.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.33 -6.14 31.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.11 -54.58 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.406 ' O ' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER 166.65 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.852 HG22 HG21 ' A' ' 78' ' ' THR . 21.9 pt 43.7 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -30.07 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -110.57 100.95 9.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.371 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.2 mm? -86.3 131.72 34.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -127.18 127.77 45.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.7 m -123.86 135.79 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 75' ' ' ILE . 8.9 tm-20 -124.83 131.69 53.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 74.5 mt -109.82 145.05 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.689 ' HE ' HG23 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -144.2 164.11 31.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.564 ' O ' HG13 ' A' ' 147' ' ' VAL . 0.0 OUTLIER -127.39 150.99 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.24 165.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 157.21 -49.18 0.45 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.0 118.98 5.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 150' ' ' LEU . 0.0 OUTLIER -172.16 116.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -68.24 -41.25 81.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -34.83 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 131.76 172.3 13.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.122 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -140.87 110.76 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 111.036 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.654 ' CD2' ' CB ' ' A' ' 61' ' ' ASP . 21.5 m-85 -139.32 158.88 43.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 156' ' ' TYR . 1.7 mm? -128.27 149.11 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -142.75 134.9 27.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 160' ' ' GLN . 6.4 t80 -145.6 153.27 40.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 1.1 tp60 -139.63 121.1 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.44 131.92 53.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 162' ' ' VAL . 13.4 m -137.08 105.82 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 48.7 66.59 2.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . -142.77 166.08 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 79.3 m -132.46 100.57 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.359 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 1.2 pp -144.63 153.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . . . -127.37 156.98 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 110.77 23.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.6 t -78.64 -55.34 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 4.5 t -169.69 167.4 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 1.026 HG12 HG23 ' A' ' 75' ' ' ILE . 9.7 m -150.24 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 4.9 mtt180 -113.3 161.98 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 7' ' ' LEU . 86.7 t -115.82 164.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.472 ' N ' HG12 ' A' ' 173' ' ' VAL . 24.4 t80 -152.5 169.21 23.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -135.43 166.26 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -132.28 154.59 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.24 155.49 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 6' ' ' THR . 8.6 p -104.77 168.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 5' ' ' VAL . 70.0 p -104.54 154.21 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.682 HD23 ' HG2' ' A' ' 65' ' ' ARG . 1.9 mp -64.9 -53.81 40.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -161.93 138.08 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.16 142.62 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG12 ' A' ' 13' ' ' VAL . 10.7 p -78.2 -31.87 49.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -33.96 75.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -55.83 -35.53 66.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 17' ' ' LEU . 15.0 p -87.92 -30.97 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' GLY . 46.3 mt-30 68.35 -65.56 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.621 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -42.91 167.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.49 151.79 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 13' ' ' VAL . 4.0 mm? -115.28 -13.14 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.34 37.26 0.8 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.419 1.074 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.531 ' CE3' ' CH2' ' A' ' 28' ' ' TRP . 53.0 p-90 -65.33 127.53 32.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -134.16 63.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.58 154.33 48.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.4 t 160.4 112.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -157.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -64.24 -38.75 92.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mt-10 158.94 128.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.97 -45.38 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.18 -121.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE2' ' HB3' ' A' ' 44' ' ' TYR . 18.3 t90 -64.61 124.13 21.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -141.94 148.24 38.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' OE1' ' CH2' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -91.15 110.98 22.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.07 136.98 51.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.4 p -96.74 136.27 37.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.65 171.02 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.82 126.7 34.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -108.34 -179.31 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -20.78 59.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 169.75 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.89 -69.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 9.1 t -59.69 144.69 84.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.05 163.66 34.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.2 pt -120.08 132.7 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 125.23 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.405 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 2.9 p -129.8 173.43 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -118.72 136.76 53.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HG3' ' HB2' ' A' ' 167' ' ' ALA . 0.7 OUTLIER -125.85 149.14 48.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.522 HG22 ' CA ' ' A' ' 28' ' ' TRP . 4.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 t -175.14 101.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.408 ' O ' ' HA2' ' A' ' 163' ' ' GLY . 1.3 m-20 -149.51 103.28 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 163' ' ' GLY . 3.6 m -133.54 37.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 ttt -106.97 -60.41 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 165.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 106.39 2.27 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p 53.42 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 140.59 35.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.19 86.47 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 160' ' ' GLN . 1.9 t30 -102.57 116.34 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -113.2 126.24 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.194 HD12 ' CZ ' ' A' ' 159' ' ' PHE . 1.9 tm? -139.65 126.51 20.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.48 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -112.89 148.81 34.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -111.2 101.35 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 156' ' ' TYR . 2.3 p30 -50.69 163.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.871 ' CZ2' HG21 ' A' ' 173' ' ' VAL . 17.4 t-105 -168.91 161.55 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 107.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -120.39 151.4 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.42 HG22 ' CA ' ' A' ' 154' ' ' GLY . 64.8 p -49.68 115.97 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.465 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HG2' HD23 ' A' ' 7' ' ' LEU . 4.3 tpt180 -130.1 142.05 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.85 166.97 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.91 171.36 44.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -171.19 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -37.85 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -137.86 146.02 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 147' ' ' VAL . 1.0 OUTLIER -131.38 -166.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.637 ' N ' HG23 ' A' ' 71' ' ' VAL . 93.6 m-85 -155.31 130.68 9.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 145' ' ' ARG . 1.3 mp -113.38 126.71 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 143' ' ' GLU . 34.4 mt-10 -107.66 118.75 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.904 HG23 HG22 ' A' ' 171' ' ' VAL . 2.8 mt -111.12 133.71 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -111.39 118.46 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.441 ' O ' ' OD1' ' A' ' 141' ' ' ASN . 39.3 p90 -140.87 162.54 35.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.515 ' OG1' HG21 ' A' ' 137' ' ' ILE . 20.8 m -119.71 129.51 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -103.88 137.76 41.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -92.95 128.71 38.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.54 123.52 21.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.84 -37.75 85.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -56.98 -30.7 64.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 m -77.68 -23.24 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 135.77 94.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 60.64 5.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.472 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 122.05 71.03 0.27 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 89' ' ' MET . 2.7 p -39.9 -28.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.472 ' N ' ' C ' ' A' ' 87' ' ' GLY . 0.8 OUTLIER 68.73 4.97 4.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.14 24.24 27.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 91' ' ' THR . 3.4 t -139.88 45.03 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.65 126.72 55.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 165.58 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.78 51.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -148.07 149.28 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -148.49 136.41 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -94.43 135.38 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -112.71 133.24 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 97' ' ' ASN . 17.5 m-85 -125.34 162.6 24.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.521 ' CD1' HG13 ' A' ' 119' ' ' ILE . 4.3 m-85 -128.23 169.21 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -152.51 104.88 2.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 150' ' ' LEU . 2.7 tm-20 -147.5 134.84 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -159.42 160.28 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.79 167.19 21.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.37 -38.02 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.31 113.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -67.74 97.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.63 109.92 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 65.33 155.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.279 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.78 141.03 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.6 pp -54.27 -29.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.97 -48.24 79.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.38 -51.42 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.24 -47.07 86.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 55.55 173.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -71.34 156.83 39.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.14 109.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 13.6 ptpt -60.16 145.84 45.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.521 HG13 ' CD1' ' A' ' 100' ' ' TYR . 47.6 mm -100.88 -82.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.17 176.85 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 p -98.33 130.0 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 98' ' ' LEU . 9.4 pt -116.89 144.49 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.21 167.03 24.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 79' ' ' LEU . . . -57.56 116.16 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER 170.43 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 68.3 -62.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -128.84 49.81 2.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.75 121.24 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 19.5 m -142.64 140.04 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -87.36 119.48 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.722 HG21 HD23 ' A' ' 140' ' ' LEU . 89.7 t -122.39 145.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.42 152.24 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.742 ' C ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.05 152.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.626 ' N ' HD13 ' A' ' 133' ' ' ILE . . . 92.36 -30.7 6.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.563 1.164 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.13 -54.09 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 176.44 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.225 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.515 HG21 ' OG1' ' A' ' 78' ' ' THR . 1.4 mp 66.43 156.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' A' ' 131' ' ' VAL . 3.7 ttt -97.2 -35.35 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.71 97.88 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -90.41 120.34 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 141' ' ' ASN . 27.8 p30 -140.21 142.66 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.9 m -124.7 135.03 52.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 8.3 tm-20 -118.56 129.41 55.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.48 128.92 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.575 ' NE ' ' H ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -104.24 177.95 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.575 ' H ' ' NE ' ' A' ' 145' ' ' ARG . 6.7 p-10 -137.56 145.56 43.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 71' ' ' VAL . 38.5 t -150.83 142.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.19 -74.15 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 150' ' ' LEU . 18.3 Cg_endo -75.0 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -178.98 38.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.424 1.077 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.0 m -62.05 -39.43 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -58.67 -25.16 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 59.17 -170.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.42 ' CA ' HG22 ' A' ' 64' ' ' THR . . . 58.54 84.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.579 ' CD1' ' CD2' ' A' ' 150' ' ' LEU . 46.2 p90 -141.94 171.02 14.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -138.48 123.27 18.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.741 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.2 pt? -101.39 136.91 40.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.02 43.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.392 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 1.194 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 6.7 p90 -138.42 153.95 48.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' ASN . 3.1 mt-30 -113.37 129.27 56.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -107.08 134.91 49.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.35 116.44 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 50.28 48.98 39.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . 0.44 ' HB1' ' HE1' ' A' ' 96' ' ' PHE . . . -137.11 167.68 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 30.1 m -135.99 112.01 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.604 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -147.4 162.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . . . -130.7 157.41 42.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.49 HD21 ' HZ ' ' A' ' 159' ' ' PHE . 3.1 mm? -101.51 106.0 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 137' ' ' ILE . 24.7 t -80.75 -54.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -173.81 177.61 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.904 HG22 HG23 ' A' ' 75' ' ' ILE . 55.9 t -149.46 116.82 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.185 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 161.48 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.871 HG21 ' CZ2' ' A' ' 62' ' ' TRP . 37.6 t -129.65 157.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 175' ' ' TYR . 34.0 t80 -152.56 169.44 22.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . 0.41 ' N ' ' CG ' ' A' ' 174' ' ' PHE . 4.4 p90 -142.36 173.81 11.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 137.26 49.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 27.2 mttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 109.31 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -133.16 147.13 52.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.9 t -108.64 155.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -122.85 154.37 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.1 mt -67.1 -66.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.39 165.51 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.763 ' O ' HG12 ' A' ' 13' ' ' VAL . 39.1 t0 -124.16 151.43 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.93 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.2 p -68.44 -29.77 68.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -37.79 18.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 8.5 t -70.16 -25.76 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.992 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' O ' ' A' ' 9' ' ' ASP . 13.1 p -90.38 40.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' VAL . 29.5 mt-30 -36.58 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -52.68 -68.5 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 36.9 mt-10 -60.04 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 10' ' ' SER . 4.1 mm? 76.43 -10.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 16' ' ' GLU . . . -79.19 -7.65 88.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.836 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -102.6 126.41 49.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER 174.87 -170.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 1.007 ' HB3' HD12 ' A' ' 58' ' ' LEU . . . -101.93 134.09 45.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.2 p -154.14 112.9 2.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.5 Cg_endo -74.91 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.3 mp -66.13 -36.82 84.15 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 1.5 mt-10 159.06 137.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.225 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.32 3.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -65.64 -97.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.695 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.28 123.79 20.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 12.8 mt-10 -118.64 142.24 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -100.4 111.38 23.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.21 137.39 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -99.26 127.91 45.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.733 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.7 pp -131.87 171.1 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 127.46 33.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.9 -172.95 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.69 -28.8 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.84 161.01 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -59.98 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 77.1 p -60.47 144.76 88.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 156.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.34 154.38 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -78.41 124.92 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 21.8 m-85 -116.59 136.66 52.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.63 153.6 49.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.695 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.77 149.0 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.7 t -170.1 105.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.378 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.65 104.42 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 85' ' ' LEU . 17.1 m -126.9 7.01 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -2.04 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -161.78 116.06 1.25 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.4 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.597 1.841 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 p 84.94 5.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.644 ' O ' HG23 ' A' ' 162' ' ' VAL . 32.9 mm-40 -79.68 137.54 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -157.31 58.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.19 124.91 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.7 t90 -86.07 114.93 23.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 107.946 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.007 HD12 ' HB3' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -115.96 128.33 55.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -115.85 116.29 27.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -110.94 150.74 28.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.21 169.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.92 -64.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 64' ' ' THR . 5.9 mt -125.13 158.55 33.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.003 HG21 ' CE2' ' A' ' 155' ' ' PHE . 24.4 m -124.28 143.94 50.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -99.1 162.69 12.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.37 164.08 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.87 -143.24 6.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.43 -174.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.58 90.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 2.3 ptm180 -139.33 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -126.16 -161.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.75 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -150.1 129.16 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.815 HG12 HG12 ' A' ' 173' ' ' VAL . 7.0 mt -114.08 136.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -121.54 109.85 15.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.832 HG23 HG22 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -109.78 128.79 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -112.01 119.86 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CD1' ' OD1' ' A' ' 141' ' ' ASN . 42.2 p90 -140.3 161.65 37.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.849 HG21 ' HA ' ' A' ' 137' ' ' ILE . 16.6 m -123.78 128.59 49.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -103.36 146.75 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -91.18 158.68 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.46 123.54 29.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.8 t -81.42 -12.59 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.55 -25.72 52.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -79.59 -19.88 48.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -72.08 176.19 2.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.67 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.96 76.74 3.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' MET . . . 48.75 42.34 28.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.563 ' O ' ' CB ' ' A' ' 89' ' ' MET . 1.5 t 67.82 -63.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.563 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 86.01 -36.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.99 -26.57 7.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -84.36 19.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 126.95 47.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 156.3 26.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.78 35.93 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.3 p -147.18 148.06 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 166' ' ' ILE . 0.1 OUTLIER -114.25 169.09 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -125.38 124.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 159' ' ' PHE . 2.7 mp -109.71 135.47 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -133.31 170.31 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 p90 -153.31 166.29 33.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -160.93 119.83 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -97.02 156.13 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.57 153.86 20.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.117 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 170.8 8.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -55.88 -34.32 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.21 125.55 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.05 110.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.63 173.28 14.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 153.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -77.92 143.91 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.25 -41.79 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -45.77 91.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -55.45 -47.87 75.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -57.85 -45.78 85.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.54 131.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 22.7 m-85 -62.58 160.38 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.423 HG11 ' OH ' ' A' ' 100' ' ' TYR . 12.1 t -124.31 101.04 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -70.82 126.09 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' A' ' 98' ' ' LEU . 32.4 mt -65.7 -73.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.17 178.24 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.5 m -99.46 125.82 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 98' ' ' LEU . 5.0 pt -112.46 140.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.42 165.95 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 100.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 128' ' ' PHE . 0.3 OUTLIER 167.15 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 69.03 -60.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 125' ' ' ASP . 3.7 m -137.39 44.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 125' ' ' ASP . 3.9 p90 -100.1 125.42 46.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -112.59 136.26 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -89.54 108.63 19.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 p -114.12 142.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -89.92 93.47 9.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -121.69 160.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.68 10.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 2.8 p-10 -79.6 -47.68 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 7.0 mtt85 162.21 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.849 ' HA ' HG21 ' A' ' 78' ' ' THR . 9.1 pt -62.34 91.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -94.4 -12.44 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.76 104.44 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.2 mp -82.68 134.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.599 ' OD1' ' CD1' ' A' ' 77' ' ' PHE . 1.9 m120 -128.58 124.78 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.36 123.55 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.45 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.416 ' HG2' ' CG2' ' A' ' 122' ' ' ILE . 0.7 OUTLIER -135.6 131.31 35.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.294 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 79.2 mt -109.62 137.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.439 ' CG ' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -119.98 174.07 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.07 150.47 51.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' VAL . . . . . 0.866 HG12 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -158.37 163.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -135.42 147.16 19.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.568 1.168 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.54 39.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.38 176.11 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.185 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.15 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.18 137.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 119.96 75.57 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 1.003 ' CE2' HG21 ' A' ' 64' ' ' THR . 7.3 p90 -124.59 168.23 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -153.38 172.64 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.735 ' H ' HD23 ' A' ' 157' ' ' LEU . 2.3 pt? -126.46 150.83 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -135.11 158.42 44.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.888 ' CD2' HD11 ' A' ' 98' ' ' LEU . 5.7 m-85 -119.75 161.18 21.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.38 115.27 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -97.12 119.17 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 54' ' ' GLN . 8.6 p -133.61 117.66 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 39.87 57.39 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.5 156.88 41.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 57.6 m -121.18 107.37 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.718 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -143.25 151.82 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -120.02 152.26 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.48 105.02 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.7 t -76.84 -58.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 162.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.832 HG22 HG23 ' A' ' 75' ' ' ILE . 45.7 t -149.37 116.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 1.9 mpp_? -118.26 162.12 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.815 HG12 HG12 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -135.35 132.53 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 72' ' ' TYR . 3.4 p90 -154.15 168.97 24.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 175' ' ' TYR . 9.0 p90 -120.0 159.43 24.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -129.94 151.19 50.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -69.14 -50.7 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.753 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -126.71 -64.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.98 155.36 47.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.48 153.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -83.74 154.06 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.64 -61.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 8' ' ' LEU . 1.2 tm? -165.37 141.45 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.678 ' H ' HD22 ' A' ' 8' ' ' LEU . 35.0 t0 -124.8 148.99 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 p -68.24 -31.12 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -81.55 -35.65 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 47.5 t -64.78 -29.83 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 17' ' ' LEU . 7.9 p -89.24 -46.26 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 70.0 -61.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.364 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.21 171.78 2.01 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 16.2 pt-20 -57.64 155.06 10.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD11 HG11 ' A' ' 13' ' ' VAL . 8.7 mp -109.39 -16.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.0 28.05 3.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ2' ' OH ' ' A' ' 44' ' ' TYR . 1.1 m-90 -52.56 148.15 7.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -160.77 35.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.24 155.07 49.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p 158.67 155.77 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -166.28 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -67.51 -43.03 81.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mt-10 165.79 151.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.53 -33.12 5.13 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -67.9 -115.06 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CE3' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -67.7 138.83 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -145.0 150.32 36.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.29 111.89 24.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.778 HG23 ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.44 137.27 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -91.93 131.49 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 ' OD2' ' A' ' 135' ' ' ASP . 2.2 pp -128.87 168.78 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 38' ' ' ASN . 24.7 tpp -83.12 135.81 34.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.11 -173.94 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.16 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -100.81 163.13 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 2.5 t-20 -65.1 -51.4 61.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -63.18 133.03 95.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.09 41.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 pt -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -81.64 124.86 29.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -130.49 -178.13 4.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.586 ' OH ' ' CZ2' ' A' ' 19' ' ' TRP . 2.3 m-85 -140.44 136.32 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.778 ' NE2' HG23 ' A' ' 31' ' ' VAL . 4.9 mt-30 -131.54 136.54 47.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' C ' ' A' ' 27' ' ' GLY . 15.0 p -136.47 110.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -133.05 121.08 22.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.63 103.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 91' ' ' THR . 1.3 p -125.81 59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -1.3 11.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -177.94 108.9 0.22 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.02 122.24 7.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.4 OUTLIER 155.87 -22.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.94 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.539 ' O ' HG12 ' A' ' 162' ' ' VAL . 35.6 mm-40 -54.15 129.99 36.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -116.19 73.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' HG21 ' A' ' 46' ' ' VAL . 85.8 m-20 -63.25 116.6 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.415 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 21.4 t90 -102.04 119.7 39.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.579 HD23 ' CE3' ' A' ' 28' ' ' TRP . 1.5 mm? -129.81 137.24 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -115.94 147.36 41.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.418 ' OG1' ' CE2' ' A' ' 159' ' ' PHE . 17.5 m -128.09 126.66 41.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.21 -179.74 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 76.5 61.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.818 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.1 tt -148.18 156.62 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.499 ' HA ' ' CG ' ' A' ' 155' ' ' PHE . 1.0 OUTLIER -155.61 143.81 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 162.14 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.33 179.67 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.33 -51.06 61.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.11 143.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -43.58 -37.54 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 175.11 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 146' ' ' ASP . 0.6 OUTLIER -128.82 170.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.4 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -108.56 129.38 55.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.759 ' CG1' HG22 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -136.39 140.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 pp20? -125.15 119.96 30.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.926 HG23 HG23 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -109.71 134.03 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 142' ' ' THR . 2.3 mttt -116.36 119.71 36.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -138.78 161.02 38.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 167' ' ' ALA . 1.8 m -133.24 126.92 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.53 159.7 28.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -88.9 110.58 21.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -57.32 124.78 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.82 -19.73 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.351 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -26.27 61.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -91.1 -16.21 28.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.29 114.28 52.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.12 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.39 62.71 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.065 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 89' ' ' MET . 4.1 p -68.02 -50.12 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 161.46 -47.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.961 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.2 27.73 6.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.155 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.784 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.2 t -143.45 42.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 0.766 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.77 135.8 53.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 131.38 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 95' ' ' THR . 13.8 pt-20 -107.08 42.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 94' ' ' GLU . 2.2 p -154.58 156.38 36.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -129.58 168.41 16.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 87.0 m-20 -128.51 127.69 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.001 HD23 HD11 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -112.05 134.7 53.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.776 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 83.2 m-85 -129.8 169.98 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.9 p90 -138.48 164.6 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.484 ' CB ' ' HB2' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -140.02 121.08 14.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -125.26 153.86 42.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -166.45 170.18 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.34 167.9 13.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -63.0 -41.0 99.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.57 96.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.83 -63.09 0.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 110' ' ' PHE . 3.9 tt0 -173.77 157.84 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 77.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 108' ' ' GLU . 45.2 m-85 -76.8 144.06 39.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.476 HG22 HE21 ' A' ' 115' ' ' GLN . 9.2 mm -59.61 -34.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -65.35 -43.58 90.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.451 ' OE1' HD11 ' A' ' 150' ' ' LEU . 21.2 mm-40 -69.92 -52.3 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -54.02 -44.91 71.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.476 HE21 HG22 ' A' ' 111' ' ' ILE . 1.2 mt-30 -42.17 107.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -61.95 173.31 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 37.2 t -151.02 127.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 21.8 pttt -66.68 148.63 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mm -94.43 -62.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.45 171.63 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 m -93.24 128.78 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 1.001 HD11 HD23 ' A' ' 98' ' ' LEU . 6.5 pt -117.15 139.1 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.78 166.54 25.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -57.69 172.41 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 1.8 t0 80.51 -155.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 70.99 -62.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -139.87 59.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 128' ' ' PHE . 55.9 p90 -88.14 125.05 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.763 ' HB ' HD21 ' A' ' 140' ' ' LEU . 28.9 m -109.7 143.77 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.84 115.21 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -121.82 143.15 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.63 93.02 8.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.9 tt -121.67 160.85 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.39 10.0 10.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.852 ' OD2' HD13 ' A' ' 33' ' ' ILE . 3.5 t0 -80.04 -53.38 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 0.808 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 138' ' ' MET . 5.4 mtt-85 164.44 -53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.741 HD13 HG22 ' A' ' 169' ' ' VAL . 58.3 mt -48.51 96.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 15.7 ttt -94.41 -31.36 14.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -122.65 100.97 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -86.31 140.65 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -122.81 126.3 47.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.59 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.5 m -116.76 129.73 56.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -126.74 131.38 51.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.91 122.97 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.2 mmp_? -138.64 165.01 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 71' ' ' VAL . 1.6 p30 -136.06 160.9 37.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.506 HG22 ' HD3' ' A' ' 149' ' ' PRO . 9.3 p -158.38 142.36 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 149' ' ' PRO . . . 174.08 61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.506 ' HD3' HG22 ' A' ' 147' ' ' VAL . 18.4 Cg_endo -74.98 -79.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.451 HD11 ' OE1' ' A' ' 113' ' ' GLU . 10.4 mt -62.9 119.69 9.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -33.87 70.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.948 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 153' ' ' LYS . 3.1 ptmt -54.32 -49.11 70.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 152' ' ' LYS . 0.8 OUTLIER 164.77 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 107.88 108.48 3.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.818 ' HB2' HG23 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -142.06 109.65 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.484 ' HB2' ' CB ' ' A' ' 101' ' ' TYR . 5.7 m-85 -160.79 128.46 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 157' ' ' LEU . 11.7 mt -95.2 151.09 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.776 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -141.49 136.22 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.418 ' CE2' ' OG1' ' A' ' 60' ' ' THR . 10.1 m-85 -118.27 143.28 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.22 123.73 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . 30.2 t70 -119.92 136.01 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 162' ' ' VAL . 6.7 m -136.92 109.96 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 41.08 60.0 2.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -149.09 148.38 29.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 89.5 m -104.08 105.71 15.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.878 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -146.12 146.18 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.42 155.1 46.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 ' HE1' ' A' ' 28' ' ' TRP . 2.4 mm? -92.59 127.93 38.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 137' ' ' ILE . 45.3 t -95.93 -50.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 169' ' ' VAL . 0.7 OUTLIER -171.74 168.3 6.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.937 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.926 HG23 HG23 ' A' ' 75' ' ' ILE . 7.9 p -150.32 137.43 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 173' ' ' VAL . 13.6 ttt180 -144.83 147.84 33.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.759 HG22 ' CG1' ' A' ' 73' ' ' ILE . 62.6 t -122.4 145.6 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CZ ' ' O ' ' A' ' 175' ' ' TYR . 51.1 t80 -152.17 151.58 31.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . 0.412 ' O ' ' CZ ' ' A' ' 174' ' ' PHE . 26.8 p90 -103.36 147.14 27.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.08 155.82 49.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -110.09 98.44 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.799 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -68.1 -53.19 20.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.799 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.03 101.13 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 182' ' ' VAL . 3.8 pp -86.17 162.36 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 181' ' ' THR . 13.5 t -65.87 117.03 7.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 110.471 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 180' ' ' LEU . 48.9 t -134.57 108.46 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.1 -44.74 21.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.604 0.826 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -72.77 -68.92 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.56 154.86 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.224 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -103.62 153.08 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.6 p -85.7 133.42 34.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.5 tm? -88.33 -47.27 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.74 120.02 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 1.011 ' O ' HG23 ' A' ' 13' ' ' VAL . 42.2 m-20 -122.57 148.36 45.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.605 ' OG ' HG22 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -69.06 -31.83 70.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.96 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -82.53 -40.97 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.9 t -70.62 -11.37 60.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 9' ' ' ASP . 2.6 t -65.01 -64.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 30.9 mt-30 81.79 -45.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -59.61 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.625 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -65.94 -164.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER 170.85 -26.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -50.61 -19.4 3.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 58' ' ' LEU . 9.6 m0 67.65 155.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.98 29.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -140.24 128.56 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.39 154.35 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.23 -43.37 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 170.11 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -36.46 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.38 -101.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.588 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -68.03 133.14 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.71 150.0 41.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -96.29 121.83 38.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.386 1.054 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.03 137.88 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 p -100.0 126.84 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.739 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -136.61 169.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 127.6 34.7 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -173.43 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.2 -22.15 66.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -100.69 167.91 10.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.36 162.75 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.3 m 62.63 127.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 157.64 42.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.409 1.742 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.67 153.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -76.77 125.57 29.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -126.41 165.74 18.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 38.7 m-85 -127.57 137.07 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -139.99 142.4 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.728 HG11 ' ND2' ' A' ' 56' ' ' ASN . 7.2 p -135.23 107.62 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.1 m -128.06 128.16 44.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.235 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -173.38 104.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.9 151.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.229 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.637 ' O ' HG21 ' A' ' 91' ' ' THR . 1.5 ttt 178.24 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.33 156.41 31.72 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 1.3 p 171.75 104.53 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 0.0 110.057 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' CD ' ' OE1' ' A' ' 160' ' ' GLN . 14.6 pt20 -56.28 151.76 12.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 53' ' ' SER . 9.5 m-80 -151.02 -43.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.728 ' ND2' HG11 ' A' ' 46' ' ' VAL . 8.6 t-20 -70.86 115.42 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.62 ' O ' HD22 ' A' ' 58' ' ' LEU . 23.5 t90 -125.8 143.22 51.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.657 1.223 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 1.4 mm? -141.64 138.33 32.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -150.48 143.7 24.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 110.348 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 60' ' ' THR . 8.5 t -133.99 101.26 4.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' OD1' ' CE1' ' A' ' 156' ' ' TYR . 4.8 t0 -134.1 115.22 14.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER 165.49 44.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 108.063 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.26 150.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 153' ' ' LYS . 5.8 p -144.77 113.55 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.0 165.94 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -127.7 150.9 49.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.51 -144.74 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.52 -53.37 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -176.13 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 8.3 mtm180 -134.42 148.28 50.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.735 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -132.88 -172.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.378 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.735 ' N ' HG23 ' A' ' 71' ' ' VAL . 20.3 m-85 -134.3 130.04 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.912 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -123.71 127.82 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.403 1.064 . . . . 0.0 109.356 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -109.75 109.09 19.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.035 HG23 HG12 ' A' ' 171' ' ' VAL . 2.9 mt -101.37 134.32 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.837 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -120.05 118.7 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -140.19 154.38 46.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 137' ' ' ILE . 23.4 m -125.95 125.22 42.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.9 156.0 29.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -81.91 134.66 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -76.88 147.27 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.78 -20.45 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 108.278 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -84.75 -17.66 37.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.877 HD23 HG11 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -69.17 123.52 88.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 77.06 3.21 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.84 70.1 1.12 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.609 1.193 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.877 HG11 HD23 ' A' ' 85' ' ' LEU . 10.5 p -86.98 62.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 2.5 mmt 66.58 -62.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.29 27.43 2.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.637 HG21 ' O ' ' A' ' 50' ' ' MET . 8.6 t -124.7 32.62 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -114.75 133.72 55.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 164.1 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 95' ' ' THR . 2.2 mt-10 -138.81 67.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 94' ' ' GLU . 5.7 p -159.17 137.77 10.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.501 ' CZ ' ' HB ' ' A' ' 166' ' ' ILE . 1.3 m-85 -120.62 169.5 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.9 m-80 -127.17 136.24 51.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 122' ' ' ILE . 6.6 mt -108.41 128.27 54.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 97.5 m-85 -128.22 153.11 47.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' HG13 ' A' ' 119' ' ' ILE . 16.6 m-85 -140.26 159.57 41.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 156' ' ' TYR . 4.9 p90 -161.13 141.91 11.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.665 ' OE2' HD23 ' A' ' 150' ' ' LEU . 2.6 mt-10 -129.6 140.84 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 152' ' ' LYS . 8.0 t -87.6 141.15 28.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.53 176.43 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.07 -40.61 78.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.16 -166.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 108' ' ' GLU . 0.2 OUTLIER 61.7 -171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER 84.6 111.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.73 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -65.28 141.68 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.3 mm -61.27 -38.1 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -45.14 95.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -44.6 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -55.97 -37.31 68.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.617 1.198 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -41.86 134.07 2.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.91 167.3 13.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.81 121.81 50.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 130.84 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 100' ' ' TYR . 26.3 mm -89.5 -75.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.65 177.31 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.8 m -96.71 130.28 43.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.491 HD13 ' CD1' ' A' ' 98' ' ' LEU . 3.4 pt -116.09 140.73 36.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -146.32 166.43 26.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -57.93 90.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 123' ' ' ALA . 1.0 OUTLIER -178.57 -167.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -60.35 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.28 75.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 36.6 p90 -100.2 121.55 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.9 p -125.58 108.4 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -82.46 108.17 15.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.352 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.77 143.06 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.18 93.59 6.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 137' ' ' ILE . 2.1 tt -121.63 160.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.97 13.25 7.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.654 ' OD2' HD13 ' A' ' 33' ' ' ILE . 8.1 p-10 -79.87 -50.3 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 135' ' ' ASP . 0.0 OUTLIER 163.33 -51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 169' ' ' VAL . 4.3 mt -60.95 96.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -91.03 -30.29 16.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -122.01 101.92 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.616 HD21 ' HD3' ' A' ' 76' ' ' LYS . 6.4 tt -85.52 126.45 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.537 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -127.59 128.84 46.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.837 HG23 ' HG3' ' A' ' 76' ' ' LYS . 1.8 m -119.05 136.15 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.446 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -125.63 130.84 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 61.0 mt -104.5 132.0 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -130.49 162.15 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.99 141.44 51.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -153.36 165.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.44 168.31 12.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -37.24 2.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.533 1.807 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.665 HD23 ' OE2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER 77.47 152.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.251 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.584 ' H ' HD13 ' A' ' 150' ' ' LEU . 3.3 m -63.1 -43.14 99.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 103' ' ' SER . 3.7 tptt -62.95 -26.81 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.678 ' O ' HG22 ' A' ' 64' ' ' THR . 1.5 mtpt 77.2 49.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -142.74 132.38 5.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.546 ' O ' ' CG ' ' A' ' 155' ' ' PHE . 11.9 p90 -142.68 109.7 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.566 ' CE1' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -129.17 151.19 50.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.763 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.5 pt? -135.53 145.96 47.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.07 144.52 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 38.9 p90 -131.07 159.3 37.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.408 ' OE1' ' CD ' ' A' ' 54' ' ' GLN . 3.0 tt0 -137.71 127.41 25.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.64 ' OD2' ' HB3' ' A' ' 164' ' ' ALA . 0.8 OUTLIER -90.86 113.21 25.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 162' ' ' VAL . 14.0 p -77.42 95.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 33.81 53.01 0.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.385 1.053 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . 0.64 ' HB3' ' OD2' ' A' ' 161' ' ' ASP . . . -133.5 165.23 25.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.3 t -100.65 119.87 39.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 108.353 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.982 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -147.9 141.38 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -123.21 157.26 33.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.92 113.74 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.721 HG22 ' CD1' ' A' ' 137' ' ' ILE . 33.5 t -85.71 -55.44 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.4 t -168.47 163.36 12.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.066 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 1.035 HG12 HG23 ' A' ' 75' ' ' ILE . 28.9 m -150.59 104.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.89 146.66 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.912 HG13 HG13 ' A' ' 73' ' ' ILE . 21.2 t -123.49 135.14 64.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.696 ' CZ ' ' CB ' ' A' ' 72' ' ' TYR . 4.6 p90 -153.06 149.53 28.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . 0.587 ' CD1' ' HB ' ' A' ' 71' ' ' VAL . 4.4 m-30 -99.8 156.15 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -136.93 151.27 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 130.65 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -42.98 -53.46 10.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -74.98 95.47 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.81 148.66 27.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 15.6 m -117.13 129.66 56.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.04 149.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ASN . 3.3 t -88.99 -43.66 10.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.76 . . . . 0.0 109.999 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.3 t-20 -40.52 -62.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -125.74 145.43 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.228 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.04 167.46 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -78.24 135.45 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 7' ' ' LEU . 6.2 mt -64.88 -53.6 44.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -166.37 135.17 2.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 1.2 m-20 -122.63 160.31 26.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.643 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -62.4 -27.65 69.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -97.7 -40.83 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 6.7 t -67.18 -17.58 64.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 10' ' ' SER . 7.6 p -63.3 -58.85 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.602 1.189 . . . . 0.0 109.205 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.578 ' H ' HG13 ' A' ' 13' ' ' VAL . 1.4 mt-30 84.61 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.551 ' H ' HG22 ' A' ' 13' ' ' VAL . . . -58.65 -125.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 22.1 mt-10 -61.29 -138.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' CB ' ' O ' ' A' ' 16' ' ' GLU . 5.4 tp 97.43 -9.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' CD1' ' A' ' 19' ' ' TRP . . . -69.48 0.0 21.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 95.99 150.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -121.21 -40.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' O ' ' CE3' ' A' ' 19' ' ' TRP . . . -130.8 -145.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER 79.33 157.75 0.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -74.96 164.6 33.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -69.52 -43.76 72.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 1.7 mt-10 -151.38 159.67 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.99 -34.61 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.14 -109.87 3.43 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -67.16 140.18 57.48 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -144.68 150.91 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -98.53 119.66 37.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.588 ' CG2' ' NE2' ' A' ' 45' ' ' GLN . 13.4 m -133.74 127.54 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.5 m -89.56 126.58 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -128.9 171.9 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.17 134.83 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.612 1.195 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -177.37 3.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.08 -34.95 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -87.39 162.98 17.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.1 172.97 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 12.3 m 61.5 133.58 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 158.35 42.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 0.0 111.054 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.52 154.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -88.01 124.79 34.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 p -129.54 152.41 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.436 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 4.0 m-85 -118.84 135.93 54.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.588 ' NE2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.75 153.17 43.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 HD21 ' A' ' 56' ' ' ASN . 6.4 p -137.14 118.16 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.26 122.57 22.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -162.34 104.47 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.747 HG11 ' CB ' ' A' ' 92' ' ' CYS . 10.2 t -138.02 84.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.3 mtp -140.47 -97.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 1.3 mt-10 -85.28 -59.34 0.32 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -75.01 148.68 35.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 p -80.08 -90.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 162' ' ' VAL . 0.8 OUTLIER -52.95 147.99 8.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.716 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -96.05 -49.06 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.73 HD21 HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER 170.09 150.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.453 ' CD1' ' OE1' ' A' ' 160' ' ' GLN . 20.3 t90 -96.21 137.24 35.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 22' ' ' SER . 1.5 mt -136.8 144.49 43.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' CB ' ' HB2' ' A' ' 158' ' ' ALA . 3.0 ptp180 -135.68 157.28 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -130.76 93.99 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HA ' ' CB ' ' A' ' 156' ' ' TYR . 1.3 p-10 -85.96 -175.27 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 70.42 54.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 108.041 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 156' ' ' TYR . 1.8 tt -148.62 140.93 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.68 131.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' CG ' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -132.32 158.05 42.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.23 151.6 51.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.242 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.84 -159.28 9.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 178' ' ' ALA . . . -77.37 -33.34 55.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.15 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 150.93 49.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.635 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -132.67 -169.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 71' ' ' VAL . 30.0 m-85 -139.95 130.39 25.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -124.89 127.88 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 115.6 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.531 HG12 HG23 ' A' ' 171' ' ' VAL . 2.0 mt -101.0 130.79 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.04 119.46 39.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 141' ' ' ASN . 24.6 p90 -140.45 161.12 38.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -126.94 127.63 45.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -107.79 143.5 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -88.89 147.0 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -80.67 124.55 29.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.95 -30.12 50.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 108.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -21.92 66.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -93.88 -14.46 26.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -69.08 137.34 89.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.482 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.09 57.07 4.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 136.07 74.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 89' ' ' MET . 8.5 p -64.14 -43.31 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.545 ' HB3' HG22 ' A' ' 91' ' ' THR . 0.4 OUTLIER 74.65 -1.97 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.8 23.53 37.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 91' ' ' THR . 2.7 t -139.24 39.22 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.747 ' CB ' HG11 ' A' ' 49' ' ' VAL . 16.9 p -115.09 148.8 38.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.63 164.96 11.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.545 ' HB2' HD22 ' A' ' 79' ' ' LEU . 1.1 pt-20 -149.41 46.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.458 ' CG2' ' C ' ' A' ' 94' ' ' GLU . 6.7 p -150.62 168.14 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.761 ' HE2' HD12 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -143.41 151.89 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.973 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -103.2 138.59 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.033 HD11 HD13 ' A' ' 157' ' ' LEU . 0.7 OUTLIER -109.47 137.72 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -137.01 170.6 15.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.723 ' CD1' HD11 ' A' ' 119' ' ' ILE . 38.9 p90 -150.3 162.33 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -152.8 124.7 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.523 ' OE1' HD21 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -126.37 151.82 47.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 t -148.7 165.54 31.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -102.08 172.99 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.306 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 3.1 m120 -57.21 -42.08 80.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER 162.35 131.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.34 -93.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 110' ' ' PHE . 3.3 pm0 -116.62 -33.39 4.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.64 88.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 108' ' ' GLU . 59.7 m-85 -71.35 143.95 50.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.53 -40.25 73.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 3.3 mtm105 -67.62 -51.24 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.06 -44.78 71.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -33.8 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.54 140.67 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -61.87 157.85 17.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 100' ' ' TYR . 17.2 t -139.97 119.04 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -83.51 142.59 30.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 100' ' ' TYR . 33.1 mm -84.64 -72.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.083 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -169.04 178.25 4.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.4 m -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.761 HD12 ' HE2' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -114.61 143.36 24.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.59 164.82 29.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.85 92.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER 175.0 -160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 69.86 -60.94 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.8 OUTLIER -137.16 108.16 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 29.1 p90 -123.33 123.19 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.8 m -108.6 142.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.15 108.78 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.55 143.04 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.73 93.45 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.501 HG23 ' OD1' ' A' ' 135' ' ' ASP . 5.6 tt -121.91 160.24 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -128.04 19.53 5.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.501 ' OD1' HG23 ' A' ' 133' ' ' ILE . 27.6 p-10 -80.4 -50.98 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.7 -77.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 137' ' ' ILE . 5.0 tp -76.8 108.21 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -92.74 4.24 54.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 101.48 8.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.1 mm? -85.63 133.36 34.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -97.76 124.46 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.14 123.82 41.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 122' ' ' ILE . 13.9 mm-40 -115.92 129.84 56.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 68.0 mt -103.07 133.53 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 176.2 6.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -136.46 141.3 43.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -158.18 166.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.562 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 147.63 -47.51 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.0 Cg_endo -74.98 101.92 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.523 HD21 ' OE1' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -178.26 104.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 59.3 p -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -29.75 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 -159.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 39.21 67.74 0.56 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 102' ' ' GLU . 7.3 p90 -132.92 167.94 19.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.476 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 8.0 p90 -135.57 -178.72 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 1.033 HD13 HD11 ' A' ' 98' ' ' LEU . 1.2 pp -130.55 151.35 51.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.552 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . . . -134.52 158.29 44.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.894 ' CE2' HD11 ' A' ' 157' ' ' LEU . 96.3 m-85 -121.66 154.23 37.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.453 ' OE1' ' CD1' ' A' ' 57' ' ' TRP . 0.8 OUTLIER -134.7 129.61 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.616 ' OD1' HD12 ' A' ' 166' ' ' ILE . 0.2 OUTLIER -99.05 102.43 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 162' ' ' VAL . 1.1 p -99.36 95.23 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 47.31 47.18 21.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -137.73 164.65 28.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 76.0 m -121.13 100.39 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.698 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -133.61 152.83 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -124.36 155.99 37.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.5 mt -107.8 105.88 15.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.87 -56.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.1 t -174.37 173.15 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 171' ' ' VAL . 5.4 p -148.01 103.56 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.433 ' CG ' ' OD1' ' A' ' 9' ' ' ASP . 7.0 tmm_? -101.84 146.13 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 73' ' ' ILE . 72.3 t -107.18 154.07 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.58 1.175 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.416 ' CD1' ' NH1' ' A' ' 172' ' ' ARG . 1.5 t80 -152.66 163.1 40.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 176' ' ' LYS . 13.4 t80 -144.5 158.54 43.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 175' ' ' TYR . 1.3 tppt? -134.02 146.08 50.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -66.65 138.11 57.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.396 1.06 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.861 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -61.11 -54.58 52.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.1 Cg_endo -75.04 65.9 6.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.31 117.22 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 16.9 m -104.55 122.25 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.334 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 53.4 t -132.42 105.18 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.99 88.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.052 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 64.57 169.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -89.16 153.35 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.62 159.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 p -83.04 135.25 34.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 65' ' ' ARG . 4.0 tt -80.92 -69.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -134.51 120.18 19.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 52.2 m-20 -123.53 146.99 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 171' ' ' VAL . 6.8 t -80.77 -31.13 35.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 41' ' ' ILE . 59.3 ttp85 -80.14 -45.23 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.34 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 4.1 t -57.83 -31.32 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.037 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' GLN . 10.3 p -85.55 -47.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER 73.2 -56.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 14' ' ' GLN . . . -54.57 -163.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -53.8 163.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -111.55 -15.16 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 113.1 31.41 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.3 p-90 -41.36 130.12 2.98 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.425 HD11 ' OD1' ' A' ' 61' ' ' ASP . 2.7 mt -117.26 -56.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.608 ' O ' HD11 ' A' ' 58' ' ' LEU . . . -102.27 -179.66 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.6 p 157.56 148.7 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.437 ' HD3' ' ND2' ' A' ' 56' ' ' ASN . 18.2 Cg_endo -75.03 -178.45 4.18 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -67.8 -44.1 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mt-10 162.28 163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.21 -31.51 6.97 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.51 -89.95 1.32 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -72.1 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 25.8 mt-10 -138.45 144.52 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.43 117.41 34.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.578 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -134.15 137.37 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.6 p -89.68 126.95 35.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.743 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 pp -130.51 171.66 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.39 127.61 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.21 -172.31 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -52.76 -31.98 41.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -96.68 166.51 11.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.12 -64.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -52.13 118.34 12.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.41 42.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.3 pt -124.16 150.85 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -78.52 125.47 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 p -116.63 -170.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HB2' HD23 ' A' ' 168' ' ' LEU . 52.9 m-85 -141.09 138.67 33.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 20.4 mp0 -125.91 134.11 51.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.4 p -137.65 108.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 23.0 t -130.77 129.12 42.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 171.43 103.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 163' ' ' GLY . 23.8 m -102.06 -22.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -26.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' ' CD ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -81.31 176.62 3.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' SER . 18.0 Cg_endo -75.06 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' PRO . 14.0 p -30.31 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 160' ' ' GLN . 11.1 mt-30 -85.99 151.22 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -118.25 -38.44 3.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 57' ' ' TRP . 4.8 t-20 -147.86 149.91 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.378 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.449 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 21.8 t90 -119.73 134.43 55.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 108.03 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.608 HD11 ' O ' ' A' ' 21' ' ' ALA . 1.8 tp -138.92 139.93 38.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 162.15 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.75 143.77 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.0 OUTLIER 174.94 -177.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.75 -75.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.1 mt -141.37 138.62 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.57 144.84 46.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.834 ' HG2' HD11 ' A' ' 7' ' ' LEU . 1.3 tpm_? -131.18 155.23 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.228 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.84 152.51 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -142.98 -179.07 19.4 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.96 -48.27 71.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.241 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.461 ' HA ' ' CD ' ' A' ' 149' ' ' PRO . 4.0 tt0 -171.02 -39.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -138.73 146.29 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 147' ' ' VAL . 14.6 m -133.59 -173.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 174' ' ' PHE . 5.4 m-85 -139.1 130.62 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.564 HG13 HG13 ' A' ' 173' ' ' VAL . 1.0 OUTLIER -121.79 127.76 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 15.5 pt-20 -114.55 118.08 32.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -107.82 151.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 3.8 mttt -131.44 119.89 22.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 75' ' ' ILE . 11.1 m-85 -139.39 161.25 37.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -136.9 127.17 26.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.64 163.04 26.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -86.18 138.47 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.733 ' O ' HD13 ' A' ' 85' ' ' LEU . 39.9 m-20 -66.1 127.4 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -85.11 -26.85 26.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -67.51 -24.85 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -92.85 -11.57 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.733 HD13 ' O ' ' A' ' 81' ' ' ASP . 1.8 mp -73.9 116.39 51.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.7 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.91 57.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.618 HG22 ' SG ' ' A' ' 82' ' ' CYS . 0.9 OUTLIER -45.69 -51.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.544 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 5.0 ttt 84.51 -42.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.72 -24.4 13.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 89' ' ' MET . 1.7 t -84.17 21.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.3 126.96 55.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER -103.73 166.79 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.442 ' C ' HG23 ' A' ' 95' ' ' THR . 8.6 pt-20 -143.63 35.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 123' ' ' ALA . 62.0 p -152.1 162.0 41.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 166' ' ' ILE . 31.6 m-85 -129.3 164.96 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 62.4 m-80 -129.29 119.63 24.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.62 140.37 39.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.247 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 97' ' ' ASN . 50.4 m-85 -136.37 160.31 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 117' ' ' VAL . 3.8 p90 -135.55 167.39 21.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -160.02 115.28 2.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.02 135.21 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.6 t -165.72 170.1 14.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -85.39 -179.72 7.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.31 -40.42 93.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -42.65 141.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -57.06 171.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -88.56 170.66 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -161.76 -60.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -70.67 142.65 51.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.1 pt -78.04 -31.07 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.197 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -66.73 -43.03 85.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.72 64.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -57.08 -45.66 83.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.61 113.54 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -76.15 165.33 25.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 100' ' ' TYR . 40.4 t -120.46 124.54 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -56.59 140.34 46.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ILE . 16.3 mm -82.91 -67.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.01 160.97 10.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 m -90.96 123.08 34.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.405 ' CG1' ' HB2' ' A' ' 96' ' ' PHE . 4.0 pt -115.7 144.52 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.569 ' HB2' HG22 ' A' ' 95' ' ' THR . . . -148.01 165.47 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.96 93.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.6 OUTLIER 174.64 -164.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 3.9 tt0 67.97 -61.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.5 OUTLIER -117.34 95.17 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 128' ' ' PHE . 28.5 p90 -118.9 122.91 43.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 66.2 p -132.54 122.42 24.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.82 110.24 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.0 143.12 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.56 96.07 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -122.22 153.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.39 -32.19 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.3 -54.6 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.391 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.25 172.51 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG21 ' A' ' 133' ' ' ILE . 2.1 mt 74.7 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.77 -23.56 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -112.1 103.43 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.6 mm? -85.02 117.48 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 141' ' ' ASN . 0.5 OUTLIER -111.54 125.15 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.4 m -122.76 132.78 54.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.085 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.21 131.11 41.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 mt -101.97 144.27 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.75 171.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -136.25 142.72 44.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.1 t -145.83 152.63 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.26 169.96 16.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 69' ' ' GLN . 18.1 Cg_endo -75.12 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.07 140.28 17.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.1 p -62.04 -40.33 95.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.0 -36.03 79.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 65.83 120.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 144.37 76.57 0.03 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.624 ' CE2' HD21 ' A' ' 157' ' ' LEU . 6.3 p90 -93.17 130.58 38.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.54 140.67 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.624 HD21 ' CE2' ' A' ' 155' ' ' PHE . 1.9 mm? -105.93 141.45 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.71 134.7 28.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 p90 -145.58 145.1 30.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' A' ' 54' ' ' GLN . 17.1 tt0 -130.17 138.66 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -93.55 119.15 32.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 163' ' ' GLY . 0.7 OUTLIER -80.77 84.92 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.749 ' O ' HG12 ' A' ' 49' ' ' VAL . . . 29.07 65.94 0.1 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -136.36 164.53 27.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 84.6 m -103.8 99.91 9.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 108.33 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -141.42 151.52 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.491 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . . . -129.32 153.35 47.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 77' ' ' PHE . 2.2 mm? -87.37 115.8 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.437 ' HB ' ' C ' ' A' ' 76' ' ' LYS . 43.1 t -85.32 -55.92 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . 0.401 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 1.4 t -166.31 164.8 17.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 171' ' ' VAL . 2.3 m -150.24 111.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 3.5 mtp180 -112.39 161.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.564 HG13 HG13 ' A' ' 73' ' ' ILE . 91.9 t -145.35 139.2 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 174' ' ' PHE . 1.2 p90 -152.76 169.04 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -125.0 150.27 46.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.28 121.18 17.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 97.99 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -75.04 -54.65 2.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -75.0 148.72 35.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.56 1.821 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 163.88 4.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 181' ' ' THR . 9.5 t -104.47 114.15 28.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.18 149.85 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 m -67.46 -50.96 56.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -64.89 154.02 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 151.28 23.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -102.59 158.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -75.92 139.56 41.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 174' ' ' PHE . 4.3 mm? -70.64 -58.87 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.74 115.22 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.379 1.049 . . . . 0.0 109.262 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 49.3 t0 -110.74 151.2 28.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.227 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.9 m -90.66 -31.16 16.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.51 -45.4 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -56.5 -33.16 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' CG2' HD21 ' A' ' 17' ' ' LEU . 9.5 m -89.83 -40.16 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 75.47 -56.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.14 171.97 5.99 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -57.65 157.52 7.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 13' ' ' VAL . 4.4 mm? -112.5 -14.6 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 35.36 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.51 ' CZ3' ' O ' ' A' ' 21' ' ' ALA . 2.2 p-90 -75.16 133.39 41.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 20' ' ' ILE . 4.7 mt -134.93 57.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.134 ' HB3' HD13 ' A' ' 58' ' ' LEU . . . -138.49 135.87 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 5.7 p 179.89 136.55 0.28 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 4.3 mm? -76.09 -41.24 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.6 mt-10 163.35 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.37 26.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.28 -115.09 1.97 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.83 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -64.15 122.64 17.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 32.4 mt-10 -124.58 145.61 49.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.12 115.04 28.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -132.79 127.36 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -86.13 137.33 32.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG22 ' OD1' ' A' ' 135' ' ' ASP . 1.1 pp -120.47 170.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 ttp -87.04 127.63 35.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -107.51 179.57 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -21.61 24.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.19 169.55 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -65.29 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -48.68 115.71 4.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 156.61 43.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.822 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -111.67 153.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 16' ' ' GLU . 7.8 ptp180 -87.05 125.28 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.82 163.82 19.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 6.3 m-85 -117.59 137.18 52.78 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.486 1.116 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -142.56 144.87 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.86 150.08 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 44.2 t -164.05 105.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.56 104.13 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 91' ' ' THR . 7.0 p -137.5 125.63 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.383 1.052 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -173.34 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 179.2 -58.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.312 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.5 p -111.4 94.9 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 161' ' ' ASP . 24.1 mt-30 -85.03 131.11 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.8 87.31 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.217 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -65.84 122.32 17.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.662 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 24.1 t90 -74.75 123.24 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.134 HD13 ' HB3' ' A' ' 21' ' ' ALA . 1.2 mm? -131.51 131.59 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' NH2' ' CE2' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -110.06 151.1 27.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.557 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 0.4 OUTLIER -131.83 164.35 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' THR . 3.1 t70 82.37 162.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -142.62 -60.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -113.93 137.2 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' HD1' ' A' ' 155' ' ' PHE . 58.8 m -76.43 145.42 39.33 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -115.29 160.03 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.24 172.96 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.83 166.55 27.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.0 -90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -116.36 -37.58 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 176' ' ' LYS . 0.0 OUTLIER -136.6 155.45 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 m -132.18 -177.78 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -121.99 130.8 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.782 HD13 ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -135.74 143.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.782 ' N ' HD13 ' A' ' 73' ' ' ILE . 2.1 mt-10 -134.9 150.43 50.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.505 HG23 HG13 ' A' ' 171' ' ' VAL . 0.1 OUTLIER -135.13 139.2 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.75 118.01 32.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -140.74 159.36 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.593 HG22 ' HA ' ' A' ' 140' ' ' LEU . 6.0 p -130.68 125.32 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.802 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -125.09 153.53 42.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.369 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -84.51 127.84 34.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.22 123.75 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.29 -21.62 63.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -87.04 -20.98 26.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.853 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -67.82 159.43 79.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.853 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.98 -88.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.443 1.76 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 88' ' ' VAL . . . -66.21 -48.69 62.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER 87.29 -20.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 0.74 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.15 -58.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.07 28.09 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 91' ' ' THR . 2.2 t -147.13 43.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.9 131.32 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -106.05 155.73 19.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.03 42.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 25.5 p -139.03 137.11 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -120.83 138.47 54.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.02 145.62 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.88 HD21 HD11 ' A' ' 122' ' ' ILE . 2.2 mt -117.5 142.31 47.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -138.15 157.16 46.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CD2' HD11 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -100.01 168.1 10.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.078 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 87.8 t80 -162.54 101.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.177 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.26 154.74 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.351 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.34 162.02 40.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -99.23 154.13 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.03 -25.13 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -117.4 88.86 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.97 116.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.46 175.24 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 56.78 165.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -73.04 137.83 45.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.8 pp -85.25 -37.39 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -57.98 -51.82 68.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -51.37 70.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 6.8 m-80 -57.56 -51.48 69.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 10.5 pt20 48.34 -176.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -81.93 164.58 21.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 65.2 t -117.71 113.61 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -59.04 128.1 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.522 HD11 ' CD2' ' A' ' 100' ' ' TYR . 2.0 mm -86.5 -70.0 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.364 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.46 ' O ' HD12 ' A' ' 98' ' ' LEU . 2.6 t0 -169.88 178.86 3.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.2 m -108.08 128.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.88 HD11 HD21 ' A' ' 98' ' ' LEU . 5.4 pt -117.04 137.93 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.59 166.27 23.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -73.03 170.56 14.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.592 ' CB ' ' O ' ' A' ' 124' ' ' ALA . 2.6 t70 89.13 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' ASP . 45.5 mm-40 -37.96 -41.38 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 m -149.24 61.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 4.8 p90 -66.47 122.26 17.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.8 m -129.37 145.41 51.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -107.04 107.81 19.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 138' ' ' MET . 10.2 p -120.77 144.5 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -73.16 92.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.6 tt -122.72 150.17 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.6 8.81 10.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.444 ' OD1' HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.77 -54.34 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 137' ' ' ILE . 1.6 mtm-85 163.07 157.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.479 ' CG1' ' HB ' ' A' ' 78' ' ' THR . 4.7 tp 42.66 94.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 131' ' ' VAL . 2.0 ttm -83.82 15.2 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.99 100.95 10.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.593 ' HA ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -85.58 138.29 32.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -130.79 125.11 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 m -123.05 139.48 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.593 1.183 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -129.27 130.1 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -97.13 124.67 50.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.756 ' HD3' HD13 ' A' ' 98' ' ' LEU . 2.2 ttm105 -129.65 165.47 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.375 1.047 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.546 ' O ' HG13 ' A' ' 147' ' ' VAL . 2.9 p30 -136.4 161.81 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 146' ' ' ASP . 1.1 m -156.13 154.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -101.61 147.51 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.598 1.186 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.48 12.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 150' ' ' LEU . 3.2 mm? -77.29 145.78 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -45.24 94.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -26.35 62.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt 79.03 109.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 151.12 58.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.724 ' HD1' HG23 ' A' ' 64' ' ' THR . 1.8 p90 -89.94 127.25 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 60' ' ' THR . 0.2 OUTLIER -129.68 134.08 47.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.883 HD22 ' H ' ' A' ' 158' ' ' ALA . 0.3 OUTLIER -109.23 144.65 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.883 ' H ' HD22 ' A' ' 157' ' ' LEU . . . -141.46 151.65 43.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 p90 -130.56 156.14 45.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -131.75 122.26 25.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 54' ' ' GLN . 19.2 t70 -100.9 133.25 45.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 163' ' ' GLY . 1.2 m -133.25 126.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 162' ' ' VAL . . . 36.68 60.3 0.99 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 141.71 22.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.04 101.36 11.13 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -137.26 155.05 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -129.02 150.24 50.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 168' ' ' LEU . 2.8 mm? -96.12 113.11 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.571 HG21 HG23 ' A' ' 78' ' ' THR . 40.1 t -83.94 -55.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 2.6 m -168.29 -176.99 3.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.505 HG13 HG23 ' A' ' 75' ' ' ILE . 19.4 t -143.62 156.98 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -139.6 154.81 47.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -145.8 140.36 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.922 ' HA ' HD23 ' A' ' 7' ' ' LEU . 32.0 t80 -152.39 168.43 25.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . 0.735 ' HD2' HD21 ' A' ' 7' ' ' LEU . 1.2 p90 -129.5 167.89 17.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -137.21 155.95 48.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 178' ' ' ALA . 7.5 ptpt -111.11 153.36 25.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.857 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -40.03 -54.94 4.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.857 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.04 78.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.431 HD22 ' HD2' ' A' ' 176' ' ' LYS . 15.7 tp -99.43 114.38 27.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 7.0 t -119.64 117.53 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 4.6 p -122.36 140.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.97 -48.42 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.983 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -71.13 -52.52 18.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' CG ' ' CZ ' ' A' ' 174' ' ' PHE . 4.1 tp10 -126.58 156.93 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 m -106.68 159.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -102.25 143.18 32.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -73.19 -66.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.57 1.169 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.48 125.49 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.789 ' O ' HG13 ' A' ' 13' ' ' VAL . 39.8 t0 -126.85 146.86 50.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.826 ' HB2' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -69.58 -31.55 69.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.685 ' HG3' HG21 ' A' ' 41' ' ' ILE . 1.6 ttp180 -79.94 -37.29 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 32.3 t -63.9 -28.86 70.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 9' ' ' ASP . 5.7 m -89.27 -39.54 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 74.19 -57.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.26 -155.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -56.2 142.2 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.826 HD22 ' HB2' ' A' ' 10' ' ' SER . 14.1 tp -106.06 -14.78 15.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.79 8.26 34.88 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.41 ' CD1' ' OH ' ' A' ' 44' ' ' TYR . 64.6 p-90 -60.59 127.13 30.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.1 tp -138.24 54.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -135.41 161.26 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . 3.5 p 164.76 114.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -160.91 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.9 mp -66.17 -44.41 84.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.1 mt-10 160.51 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.96 -32.65 4.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.825 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -66.34 -119.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -65.7 140.11 58.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 17.7 mt-10 -141.23 150.26 42.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -93.34 124.35 37.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG11 ' NE2' ' A' ' 45' ' ' GLN . 3.8 p -135.0 138.3 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 m -104.45 124.72 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.57 172.3 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -85.78 144.11 27.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 110.972 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.06 -179.57 3.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 37' ' ' LYS . 6.1 pt-20 -56.76 -33.19 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -94.49 169.63 10.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.218 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.72 164.63 5.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.0 m 60.98 125.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 34' ' ' MET . 18.1 Cg_endo -75.08 156.41 42.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' HG3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -123.9 145.96 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -72.3 125.89 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -120.72 178.91 4.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . 17.0 m-85 -143.36 138.17 29.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.626 ' NE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.87 150.69 46.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' C ' ' A' ' 27' ' ' GLY . 8.5 p -136.95 115.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.6 t -132.78 126.74 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -173.2 103.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.73 106.42 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' GLU . 2.1 mtm 169.56 38.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' N ' ' HD3' ' A' ' 52' ' ' PRO . 1.5 mt-10 37.05 55.71 3.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 51' ' ' GLU . 18.5 Cg_endo -74.92 0.8 8.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m 47.04 45.75 15.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.483 ' CG ' ' HB2' ' A' ' 52' ' ' PRO . 2.3 mt-30 -87.19 137.22 32.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.2 91.46 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -83.73 116.84 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.534 ' CZ2' ' HD3' ' A' ' 59' ' ' ARG . 26.8 t90 -104.4 115.99 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' A' ' 158' ' ' ALA . 3.0 mt -134.54 124.54 25.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 7.5 ptm180 -129.62 144.02 51.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.575 ' O ' ' CD1' ' A' ' 156' ' ' TYR . 52.3 m -123.33 93.7 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 156' ' ' TYR . 2.1 t70 -142.91 -78.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.446 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER 83.34 -72.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.04 148.56 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.2 p -64.47 137.93 58.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -129.79 165.97 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.11 173.69 8.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 110.233 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 155' ' ' PHE . . . -167.54 -176.13 38.0 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.65 -155.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -37.73 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 148.46 44.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -140.83 168.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.551 ' N ' HG23 ' A' ' 71' ' ' VAL . 12.8 m-85 -134.55 144.24 47.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.471 HD12 ' C ' ' A' ' 72' ' ' TYR . 1.3 mp -135.13 130.85 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 5.9 pt-20 -117.59 109.78 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.585 HG23 HG23 ' A' ' 171' ' ' VAL . 0.9 OUTLIER -100.67 130.31 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 169' ' ' VAL . 0.1 OUTLIER -113.75 117.86 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 141' ' ' ASN . 12.7 p90 -141.3 161.57 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -122.78 127.18 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 80' ' ' ARG . 3.4 tt -108.83 133.09 53.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.818 ' N ' HD23 ' A' ' 79' ' ' LEU . 20.5 mmt85 -77.87 113.15 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.7 123.87 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.495 ' O ' HG11 ' A' ' 88' ' ' VAL . 11.3 m -70.02 -35.56 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.255 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -22.32 66.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -17.52 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 122.81 69.99 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.23 9.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.19 78.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 82' ' ' CYS . 4.9 p -58.59 -42.81 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 91' ' ' THR . 5.9 mmt 63.72 153.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.7 41.74 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 89' ' ' MET . 6.5 t -134.15 31.94 3.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.9 138.72 49.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.258 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 134.23 33.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.23 33.71 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.5 ' HB ' ' CG2' ' A' ' 121' ' ' THR . 11.5 p -136.55 127.0 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.658 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -105.97 133.51 50.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -91.07 130.24 36.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 122' ' ' ILE . 2.0 tp -114.61 121.27 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 97' ' ' ASN . 73.7 m-85 -121.6 149.06 43.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CD1' HG13 ' A' ' 119' ' ' ILE . 3.5 m-85 -124.63 162.63 23.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -161.16 129.22 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -125.47 134.21 52.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.476 ' N ' ' HB3' ' A' ' 153' ' ' LYS . 0.6 OUTLIER -166.53 155.18 10.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 109.951 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -104.4 167.03 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.33 -39.94 77.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.72 78.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.6 165.35 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 48.44 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.229 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.91 -66.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.31 132.88 38.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.9 pt -84.31 -26.92 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.99 -42.79 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -54.74 42.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -66.01 -51.59 56.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 55.98 170.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -81.02 167.53 19.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.5 t -122.38 122.66 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -83.59 127.81 34.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.596 HG13 ' CD1' ' A' ' 100' ' ' TYR . 9.2 mm -86.88 -80.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -166.26 177.42 6.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 95' ' ' THR . 75.0 m -101.69 130.26 48.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.512 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -114.12 140.56 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' ASP . . . -142.87 168.5 19.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . . . -55.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 127' ' ' SER . 3.1 t0 179.91 -159.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.571 1.17 . . . . 0.0 109.245 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 68.76 -61.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' ASP . 2.8 t -148.4 80.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 128' ' ' PHE . 30.6 p90 -116.86 126.99 53.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 28.4 m -121.04 143.31 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -101.13 109.12 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.59 141.69 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -83.52 93.83 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -122.12 146.43 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.63 13.21 46.79 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.73 -54.01 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 168.37 -67.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 1.0 OUTLIER -52.91 109.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.2 ttt -96.15 -31.88 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 100.31 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.12 135.54 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -117.23 129.78 56.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.04 126.99 53.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -137.67 130.63 30.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 7.7 mt -121.42 148.37 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.51 161.92 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 2.1 p-10 -128.84 159.34 36.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.69 HG22 ' HD3' ' A' ' 149' ' ' PRO . 2.9 p -158.32 164.03 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 171.72 65.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.717 ' C ' HD23 ' A' ' 150' ' ' LEU . 18.1 Cg_endo -75.1 -79.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.717 HD23 ' C ' ' A' ' 149' ' ' PRO . 0.4 OUTLIER -112.17 124.75 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 88.1 p -71.11 -39.54 72.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -28.37 65.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.654 ' HG3' HD12 ' A' ' 150' ' ' LEU . 6.9 mmmt -89.4 162.48 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 155' ' ' PHE . . . -78.96 -163.53 25.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.592 1.183 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.577 ' CE1' ' HA3' ' A' ' 67' ' ' GLY . 23.3 m-85 -142.22 121.14 12.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 60' ' ' THR . 4.4 m-85 -158.04 166.09 33.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . 1.5 pt? -149.37 150.16 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.212 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -123.23 158.6 30.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 161' ' ' ASP . 7.2 t80 -120.2 156.84 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.486 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 0.0 OUTLIER -139.71 133.56 30.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 159' ' ' PHE . 20.7 t70 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.689 ' O ' HG23 ' A' ' 162' ' ' VAL . 5.2 m -137.28 98.76 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.205 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 42.0 63.87 1.64 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -139.79 163.34 32.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 98.7 m -109.64 99.13 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.97 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -148.32 133.47 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -111.37 152.5 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.33 105.85 16.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 76' ' ' LYS . 12.7 t -75.67 -56.6 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.5 t -168.55 168.82 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.585 HG23 HG23 ' A' ' 75' ' ' ILE . 2.8 p -150.43 113.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.463 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -109.1 162.44 14.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.358 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.5 156.27 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.526 ' CZ ' ' CG ' ' A' ' 4' ' ' GLU . 20.9 t80 -149.67 169.47 20.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -147.84 175.13 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.06 145.88 48.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.01 155.83 16.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.826 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -40.4 -53.96 5.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.826 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.4 Cg_endo -74.94 61.87 5.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.63 145.77 22.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 14.6 t -122.93 167.44 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.1 t -128.86 141.39 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.225 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -61.13 -49.64 76.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.96 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -74.18 140.77 45.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 174' ' ' PHE . 0.5 OUTLIER -95.82 155.01 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.8 t -102.03 151.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -92.85 148.19 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 4.8 tp -65.72 -50.21 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.594 ' CB ' HD11 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -165.83 139.69 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.508 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 33.2 t0 -115.45 159.37 21.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.474 ' C ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.72 -27.43 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD2' HG21 ' A' ' 41' ' ' ILE . 11.0 ttp-105 -94.76 -46.64 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.369 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 5.3 t -57.67 -32.01 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.738 ' CG1' HD11 ' A' ' 17' ' ' LEU . 12.7 p -65.33 -49.42 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' N ' HG13 ' A' ' 13' ' ' VAL . 1.1 mt-30 69.13 -58.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -51.62 -173.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.29 148.18 9.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD11 ' CG1' ' A' ' 13' ' ' VAL . 6.2 mp -114.52 -12.64 12.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' TRP . . . 89.65 24.7 29.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.433 ' CZ2' ' HB2' ' A' ' 17' ' ' LEU . 25.6 m-90 -41.59 126.79 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -150.78 29.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . . . -121.45 151.25 40.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.8 p 158.18 113.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.2 Cg_endo -75.11 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 3.4 mm? -66.04 -43.5 87.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.4 mt-10 163.73 137.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.97 -36.37 4.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.601 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -60.45 -118.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.764 ' HE1' HD12 ' A' ' 168' ' ' LEU . 0.4 OUTLIER -64.89 134.1 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.573 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 3.8 mt-10 -145.23 154.66 42.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 125.8 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.605 ' CG1' ' NE2' ' A' ' 45' ' ' GLN . 3.7 p -135.41 135.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.1 m -96.72 125.88 41.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.82 171.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.602 1.189 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.0 ttt -82.1 139.6 34.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -111.63 -176.26 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.375 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -19.08 11.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.449 1.093 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -101.19 172.95 6.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.17 -65.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.15 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 14.9 t -55.35 131.95 69.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.93 160.27 40.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.563 HG21 ' HD2' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -127.59 141.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -70.06 129.06 38.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -126.09 155.33 41.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.608 ' CD1' ' CD2' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -118.7 136.05 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.605 ' NE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -148.61 155.11 40.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 27' ' ' GLY . 9.0 p -136.67 116.52 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 165' ' ' CYS . 31.8 t -126.38 116.51 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.389 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -157.64 103.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.5 t -140.5 89.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.1 ttt -118.68 -35.38 3.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 52' ' ' PRO . 2.8 mt-10 165.34 -53.68 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.94 127.89 11.09 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.419 1.747 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.454 ' HB3' ' CG2' ' A' ' 162' ' ' VAL . 1.2 m -73.86 105.65 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.059 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.56 149.79 29.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.78 95.58 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' OD1' HG21 ' A' ' 46' ' ' VAL . 15.5 m-80 -88.02 118.15 27.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -80.69 125.0 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 159' ' ' PHE . 38.6 tp -138.67 125.6 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.221 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 117.23 11.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -134.04 145.91 49.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.419 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.5 ' HB3' ' CE1' ' A' ' 156' ' ' TYR . 0.1 OUTLIER 173.51 144.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.82 37.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 107.947 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 173' ' ' VAL . 8.3 mm -138.39 167.14 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.528 ' N ' HG22 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -157.25 140.82 15.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -132.21 138.05 47.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 10.5 pt-20 -130.52 176.85 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.79 -87.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.5 158.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -103.38 -37.72 7.51 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 10.3 mtm-85 -107.38 150.61 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.9 m -136.6 179.22 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.554 ' C ' HD12 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -142.32 132.06 24.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.554 HD12 ' C ' ' A' ' 72' ' ' TYR . 3.7 mp -137.54 151.97 26.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' C ' HD13 ' A' ' 75' ' ' ILE . 2.8 mt-10 -135.96 137.61 41.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.791 HG23 HG12 ' A' ' 171' ' ' VAL . 0.4 OUTLIER -120.37 131.29 73.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 142' ' ' THR . 1.2 mttt -110.08 119.26 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 141' ' ' ASN . 13.6 p90 -139.79 162.24 35.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.871 ' HB ' HG21 ' A' ' 137' ' ' ILE . 1.5 p -124.74 127.45 47.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -106.21 141.81 36.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' ' CD2' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -79.01 148.92 32.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 54.6 m-20 -73.95 121.24 20.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.52 -22.67 43.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.278 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.63 -21.91 66.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -18.43 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 86' ' ' PRO . 0.4 OUTLIER -65.93 119.38 60.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 85' ' ' LEU . 18.2 Cg_endo -75.02 73.14 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 113.6 29.24 2.97 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -40.09 -30.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 87' ' ' GLY . 9.5 mmt 62.63 -99.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.41 24.59 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -105.45 15.19 27.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -114.04 126.07 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.356 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 164.94 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -138.61 43.0 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 48.6 p -129.87 144.15 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -132.69 154.04 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -107.68 147.18 31.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD11 HD13 ' A' ' 122' ' ' ILE . 21.9 mt -108.69 143.53 37.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE1' ' N ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -144.48 161.9 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.947 ' CD1' HD11 ' A' ' 119' ' ' ILE . 9.2 p90 -159.73 160.47 34.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -162.58 116.51 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -156.83 135.62 11.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.16 171.65 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -74.18 177.07 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -54.97 -39.34 68.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -63.3 155.4 28.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.07 109.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 2.3 tt0 178.12 167.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER 85.58 -43.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.52 142.45 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 48.0 pt -59.62 -35.07 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -63.52 -52.62 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -45.95 91.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.1 -44.01 96.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -47.28 131.12 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.377 1.048 . . . . 0.0 110.264 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -76.23 -174.91 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 100' ' ' TYR . 4.1 t -139.99 115.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.609 ' N ' ' CE1' ' A' ' 99' ' ' TYR . 11.7 tttt -66.67 134.91 53.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.947 HD11 ' CD1' ' A' ' 100' ' ' TYR . 22.3 mm -86.64 -65.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.79 178.9 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.4 m -103.86 127.92 51.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.642 HG22 ' HG3' ' A' ' 143' ' ' GLU . 0.6 OUTLIER -107.45 142.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.21 164.9 26.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 125' ' ' ASP . . . -66.65 175.79 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.475 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 1.3 m-20 79.61 -155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 71.52 -63.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.0 81.92 1.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 125' ' ' ASP . 1.0 OUTLIER -94.32 122.98 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.9 p -128.87 118.6 22.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.57 108.06 13.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.31 143.56 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.66 93.15 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -97.38 148.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -119.09 -18.0 4.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -75.99 -57.61 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.517 ' HB3' HD12 ' A' ' 137' ' ' ILE . 0.0 OUTLIER 169.46 177.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.871 HG21 ' HB ' ' A' ' 78' ' ' THR . 2.5 mp 49.62 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 ttt -93.18 16.58 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -121.45 100.65 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.3 mm? -86.41 140.74 29.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -129.0 123.63 32.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.8 m -123.88 134.31 53.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.642 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.7 tm-20 -119.0 131.28 55.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.73 116.75 35.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 73' ' ' ILE . 7.5 mmm180 -114.15 141.75 47.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -137.13 157.13 47.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.5 t -126.81 166.93 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 -71.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 155' ' ' PHE . 0.1 OUTLIER 175.88 58.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -35.26 76.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -24.0 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt 77.14 149.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.423 ' O ' HD21 ' A' ' 150' ' ' LEU . . . 63.95 135.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 155' ' ' PHE . 2.6 p90 -142.62 141.85 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -99.91 145.85 27.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 157' ' ' LEU . 1.8 mm? -102.52 141.06 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . . . -141.78 134.7 28.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.901 ' HB2' HD23 ' A' ' 58' ' ' LEU . 57.2 m-85 -125.29 146.79 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.44 114.5 13.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.366 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . 0.445 ' OD1' HD12 ' A' ' 166' ' ' ILE . 34.0 m-20 -96.04 136.91 35.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 162' ' ' VAL . 8.1 p -137.15 116.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 37.47 62.2 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.78 163.11 39.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 99.4 m -123.28 99.9 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -136.91 143.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB3' ' OG1' ' A' ' 78' ' ' THR . . . -117.48 153.09 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.764 HD12 ' HE1' ' A' ' 28' ' ' TRP . 6.8 mt -101.69 105.7 16.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 78' ' ' THR . 55.3 t -77.99 -56.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -167.53 167.12 13.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.078 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.791 HG12 HG23 ' A' ' 75' ' ' ILE . 5.9 m -140.99 115.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' ILE . 11.1 mtp180 -102.65 155.38 18.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 63' ' ' ILE . 90.4 t -129.59 150.92 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 t80 -152.26 169.56 22.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . 0.412 ' HB2' ' NE ' ' A' ' 65' ' ' ARG . 29.4 p90 -123.4 175.09 6.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -134.23 98.72 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 102.52 11.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -57.96 -53.45 65.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.3 Cg_endo -75.04 75.94 3.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.01 138.37 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 1.9 m -115.98 154.62 29.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 183' ' ' ARG . 13.0 t -87.69 114.38 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 182' ' ' VAL . 12.2 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -49.36 74.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 0.0 110.059 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.16 110.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 154.91 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.643 1.214 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.1 161.8 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.612 HG21 ' OD2' ' A' ' 9' ' ' ASP . 9.8 t -77.06 148.95 35.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.592 HD13 ' CG1' ' A' ' 173' ' ' VAL . 2.0 tt -77.28 -60.18 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -149.84 145.89 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -128.45 146.39 50.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 p -84.4 -31.67 24.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -39.7 81.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -56.26 -29.49 61.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.927 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' GLN . 1.1 m -89.77 -41.36 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' O ' ' A' ' 13' ' ' VAL . 15.3 pt20 45.46 106.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.92 -142.89 14.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.34 121.69 15.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.2 mm? -102.06 -11.82 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.22 6.11 51.76 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.059 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 p-90 -66.92 149.41 50.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 tt -132.18 63.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -124.84 136.89 54.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' CE3' ' A' ' 28' ' ' TRP . 2.6 t 159.13 112.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.3 Cg_endo -74.94 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -64.23 -37.21 86.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 4.3 mt-10 161.46 138.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.05 -29.82 9.74 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.783 ' C ' HG23 ' A' ' 46' ' ' VAL . . . -70.49 -113.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.793 ' N ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -65.12 140.29 58.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -145.67 150.1 35.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' CH2' ' A' ' 28' ' ' TRP . 39.6 mt-10 -95.9 111.01 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.49 132.32 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.4 p -97.03 126.89 42.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 171.15 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 1.065 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.8 134.32 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' ILE . 1.1 p-10 -102.8 169.77 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -54.45 -21.33 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.01 167.69 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.24 156.28 22.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 29.4 m 61.72 133.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 161.1 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.413 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.6 pt -121.92 149.11 25.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 125.34 28.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 31' ' ' VAL . 1.4 p -123.01 157.25 33.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -118.31 136.96 53.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.753 ' HB3' ' HB2' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -141.72 143.83 33.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.793 HG23 ' N ' ' A' ' 28' ' ' TRP . 13.8 p -133.42 106.69 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 109.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 164' ' ' ALA . 5.9 t -132.09 113.34 13.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 108.343 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.61 103.45 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 ' CB ' ' A' ' 92' ' ' CYS . 0.0 OUTLIER -115.7 -12.38 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -65.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 54' ' ' GLN . 3.7 mm-40 -53.95 153.94 8.14 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.9 p 39.33 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 8.1 mm100 -78.15 148.48 34.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.17 93.68 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -101.62 121.3 41.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.751 ' C ' HD12 ' A' ' 58' ' ' LEU . 18.3 t90 -78.74 116.02 18.82 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.751 HD12 ' C ' ' A' ' 57' ' ' TRP . 10.1 mp -133.88 140.23 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 157' ' ' LEU . 7.6 mpt_? 66.47 131.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 157' ' ' LEU . 2.8 m -138.42 -74.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.654 ' CB ' ' CD2' ' A' ' 156' ' ' TYR . 14.2 p-10 -124.43 -165.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -167.9 -157.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 108.002 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.422 ' O ' ' CB ' ' A' ' 155' ' ' PHE . 1.5 tt -117.02 152.16 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 t -72.42 145.68 47.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -127.1 164.57 21.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.51 -177.91 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.3 -161.2 22.69 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.75 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -38.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.86 -174.27 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 147' ' ' VAL . 3.4 m -130.84 -167.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 174' ' ' PHE . 4.6 m-85 -144.6 130.33 19.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 144' ' ' ILE . 1.4 mt -122.86 148.61 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 172' ' ' ARG . 10.3 pt-20 -128.13 119.95 26.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.026 HG23 HG12 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -111.42 128.31 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -112.59 118.49 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 141' ' ' ASN . 14.9 p90 -140.44 161.75 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.852 HG21 HG22 ' A' ' 137' ' ' ILE . 2.3 m -120.8 146.28 46.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.448 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -120.74 139.79 52.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.232 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.803 ' HD3' HD21 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -93.39 127.8 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 85' ' ' LEU . 1.3 p30 -61.93 139.52 58.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.476 ' SG ' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.32 -21.59 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -77.99 -24.08 48.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -91.94 -16.97 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.803 HD21 ' HD3' ' A' ' 80' ' ' ARG . 1.3 mp -75.47 115.62 47.21 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.93 79.73 0.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 90' ' ' GLY . 12.2 p -114.35 40.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 63.97 -64.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.035 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . 117.88 21.25 4.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.392 1.058 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 91' ' ' THR . 15.0 t -128.63 50.02 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.544 ' CB ' HG11 ' A' ' 49' ' ' VAL . 22.5 p -115.08 131.67 56.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.9 165.72 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -135.57 26.38 3.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.2 p -140.74 156.44 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 166' ' ' ILE . 40.5 m-85 -141.36 157.6 44.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.54 122.04 46.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -109.2 145.23 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.825 ' HB2' ' HB3' ' A' ' 158' ' ' ALA . 23.1 m-85 -144.2 165.42 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.42 ' CZ ' HD21 ' A' ' 157' ' ' LEU . 0.6 OUTLIER -127.56 170.67 12.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -155.31 149.4 25.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -153.3 151.76 30.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 p -150.54 151.79 33.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.53 174.7 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -66.01 -40.88 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -58.1 -62.97 1.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.72 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 34.8 mm-40 -90.12 -95.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -159.6 30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 108' ' ' GLU . 97.1 m-85 -72.47 144.6 48.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.0 -29.28 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -33.58 75.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -34.16 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -65.55 -44.47 86.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.61 118.43 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -68.97 175.87 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.0 t -114.77 110.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -73.02 134.29 44.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.689 HG23 ' HE ' ' A' ' 145' ' ' ARG . 48.3 mm -104.93 -96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 119' ' ' ILE . 3.3 t0 -169.02 178.23 4.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 1.0 OUTLIER -98.67 134.17 41.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.463 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 98' ' ' LEU . 1.7 pt -117.12 141.32 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.8 165.87 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 128' ' ' PHE . . . -58.28 108.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER 167.21 -37.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' ASP . 73.1 mm-40 -37.1 -44.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.97 60.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -67.56 120.9 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.7 m -123.82 144.24 49.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.14 107.6 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.406 HG12 HD23 ' A' ' 140' ' ' LEU . 5.9 p -116.66 143.57 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.5 91.85 8.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 136' ' ' ARG . 1.5 tt -123.98 149.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.33 -6.14 31.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.11 -54.58 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.406 ' O ' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER 166.65 -169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.852 HG22 HG21 ' A' ' 78' ' ' THR . 21.9 pt 43.7 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -30.07 13.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -110.57 100.95 9.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.371 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 140' ' ' LEU . 1.2 mm? -86.3 131.72 34.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -127.18 127.77 45.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.7 m -123.86 135.79 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.804 ' O ' HD12 ' A' ' 75' ' ' ILE . 8.9 tm-20 -124.83 131.69 53.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 74.5 mt -109.82 145.05 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.689 ' HE ' HG23 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -144.2 164.11 31.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.564 ' O ' HG13 ' A' ' 147' ' ' VAL . 0.0 OUTLIER -127.39 150.99 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.589 HG23 HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.24 165.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.521 ' N ' ' CD ' ' A' ' 149' ' ' PRO . . . 157.21 -49.18 0.45 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.0 118.98 5.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 150' ' ' LEU . 0.0 OUTLIER -172.16 116.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -68.24 -41.25 81.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -34.83 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 10.8 tttt 71.46 138.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 131.76 172.3 13.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.122 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 156' ' ' TYR . 0.9 OUTLIER -140.87 110.76 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 111.036 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.654 ' CD2' ' CB ' ' A' ' 61' ' ' ASP . 21.5 m-85 -139.32 158.88 43.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.623 HD22 ' O ' ' A' ' 156' ' ' TYR . 1.7 mm? -128.27 149.11 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 99' ' ' TYR . . . -142.75 134.9 27.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 160' ' ' GLN . 6.4 t80 -145.6 153.27 40.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' A' ' 159' ' ' PHE . 1.1 tp60 -139.63 121.1 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.44 131.92 53.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 162' ' ' VAL . 13.4 m -137.08 105.82 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 48.7 66.59 2.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . -142.77 166.08 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 79.3 m -132.46 100.57 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.359 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 1.2 pp -144.63 153.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . . . -127.37 156.98 41.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 110.77 23.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.6 t -78.64 -55.34 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 4.5 t -169.69 167.4 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 1.026 HG12 HG23 ' A' ' 75' ' ' ILE . 9.7 m -150.24 105.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 4.9 mtt180 -113.3 161.98 16.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.592 ' CG1' HD13 ' A' ' 7' ' ' LEU . 86.7 t -115.82 164.22 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.472 ' N ' HG12 ' A' ' 173' ' ' VAL . 24.4 t80 -152.5 169.21 23.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -135.43 166.26 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -132.28 154.59 49.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -103.14 141.18 36.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.776 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -68.78 -52.61 17.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.4 Cg_endo -74.97 87.33 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.67 141.04 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 19.4 m -68.62 135.57 51.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.48 140.07 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -62.25 -49.02 77.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 110.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -45.88 169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -85.24 155.49 21.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 6' ' ' THR . 8.6 p -104.77 168.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 5' ' ' VAL . 70.0 p -104.54 154.21 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.682 HD23 ' HG2' ' A' ' 65' ' ' ARG . 1.9 mp -64.9 -53.81 40.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -161.93 138.08 7.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.16 142.62 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG12 ' A' ' 13' ' ' VAL . 10.7 p -78.2 -31.87 49.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -33.96 75.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -55.83 -35.53 66.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 17' ' ' LEU . 15.0 p -87.92 -30.97 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' GLY . 46.3 mt-30 68.35 -65.56 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.621 ' O ' HD22 ' A' ' 17' ' ' LEU . . . -42.91 167.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.49 151.79 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.345 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 13' ' ' VAL . 4.0 mm? -115.28 -13.14 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.34 37.26 0.8 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.419 1.074 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.531 ' CE3' ' CH2' ' A' ' 28' ' ' TRP . 53.0 p-90 -65.33 127.53 32.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -134.16 63.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 22' ' ' SER . . . -138.58 154.33 48.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.4 t 160.4 112.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -157.34 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -64.24 -38.75 92.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mt-10 158.94 128.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.97 -45.38 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.18 -121.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE2' ' HB3' ' A' ' 44' ' ' TYR . 18.3 t90 -64.61 124.13 21.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -141.94 148.24 38.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.212 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' OE1' ' CH2' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -91.15 110.98 22.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.07 136.98 51.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.4 p -96.74 136.27 37.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.65 171.02 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.82 126.7 34.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' OD1' HG23 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -108.34 -179.31 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -20.78 59.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 169.75 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.89 -69.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 9.1 t -59.69 144.69 84.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.05 163.66 34.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 ' OD1' ' A' ' 35' ' ' ASP . 3.2 pt -120.08 132.7 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 125.23 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.405 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 2.9 p -129.8 173.43 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -118.72 136.76 53.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.583 ' HG3' ' HB2' ' A' ' 167' ' ' ALA . 0.7 OUTLIER -125.85 149.14 48.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.522 HG22 ' CA ' ' A' ' 28' ' ' TRP . 4.0 t -136.92 136.77 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 t -175.14 101.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.408 ' O ' ' HA2' ' A' ' 163' ' ' GLY . 1.3 m-20 -149.51 103.28 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 163' ' ' GLY . 3.6 m -133.54 37.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 ttt -106.97 -60.41 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 165.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 106.39 2.27 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.454 1.765 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p 53.42 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.7 140.59 35.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.19 86.47 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 160' ' ' GLN . 1.9 t30 -102.57 116.34 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -113.2 126.24 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.194 HD12 ' CZ ' ' A' ' 159' ' ' PHE . 1.9 tm? -139.65 126.51 20.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.48 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -112.89 148.81 34.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -111.2 101.35 9.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 156' ' ' TYR . 2.3 p30 -50.69 163.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.871 ' CZ2' HG21 ' A' ' 173' ' ' VAL . 17.4 t-105 -168.91 161.55 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 107.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -120.39 151.4 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.42 HG22 ' CA ' ' A' ' 154' ' ' GLY . 64.8 p -49.68 115.97 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.465 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.682 ' HG2' HD23 ' A' ' 7' ' ' LEU . 4.3 tpt180 -130.1 142.05 50.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.85 166.97 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.91 171.36 44.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -171.19 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -37.85 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -137.86 146.02 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.836 HG22 ' HB ' ' A' ' 147' ' ' VAL . 1.0 OUTLIER -131.38 -166.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.637 ' N ' HG23 ' A' ' 71' ' ' VAL . 93.6 m-85 -155.31 130.68 9.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 145' ' ' ARG . 1.3 mp -113.38 126.71 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 143' ' ' GLU . 34.4 mt-10 -107.66 118.75 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.904 HG23 HG22 ' A' ' 171' ' ' VAL . 2.8 mt -111.12 133.71 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -111.39 118.46 35.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.441 ' O ' ' OD1' ' A' ' 141' ' ' ASN . 39.3 p90 -140.87 162.54 35.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.515 ' OG1' HG21 ' A' ' 137' ' ' ILE . 20.8 m -119.71 129.51 54.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.406 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -103.88 137.76 41.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -92.95 128.71 38.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.54 123.52 21.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.84 -37.75 85.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -56.98 -30.7 64.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 m -77.68 -23.24 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.73 135.77 94.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 60.64 5.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.472 ' C ' ' N ' ' A' ' 89' ' ' MET . . . 122.05 71.03 0.27 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.546 1.154 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 89' ' ' MET . 2.7 p -39.9 -28.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.472 ' N ' ' C ' ' A' ' 87' ' ' GLY . 0.8 OUTLIER 68.73 4.97 4.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.14 24.24 27.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 91' ' ' THR . 3.4 t -139.88 45.03 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.65 126.72 55.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.57 165.58 10.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.78 51.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -148.07 149.28 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 166' ' ' ILE . 0.3 OUTLIER -148.49 136.41 20.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -94.43 135.38 35.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 157' ' ' LEU . 0.2 OUTLIER -112.71 133.24 54.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 97' ' ' ASN . 17.5 m-85 -125.34 162.6 24.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.521 ' CD1' HG13 ' A' ' 119' ' ' ILE . 4.3 m-85 -128.23 169.21 14.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -152.51 104.88 2.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 150' ' ' LEU . 2.7 tm-20 -147.5 134.84 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -159.42 160.28 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -77.79 167.19 21.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.37 -38.02 86.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.31 113.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -67.74 97.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.63 109.92 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 65.33 155.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 110.279 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.78 141.03 48.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.6 pp -54.27 -29.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -62.97 -48.24 79.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.38 -51.42 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.24 -47.07 86.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 55.55 173.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -71.34 156.83 39.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.14 109.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 99' ' ' TYR . 13.6 ptpt -60.16 145.84 45.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.521 HG13 ' CD1' ' A' ' 100' ' ' TYR . 47.6 mm -100.88 -82.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.17 176.85 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 p -98.33 130.0 45.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.441 ' CD1' HD13 ' A' ' 98' ' ' LEU . 9.4 pt -116.89 144.49 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.21 167.03 24.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 79' ' ' LEU . . . -57.56 116.16 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER 170.43 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 68.3 -62.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -128.84 49.81 2.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.75 121.24 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 19.5 m -142.64 140.04 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -87.36 119.48 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.722 HG21 HD23 ' A' ' 140' ' ' LEU . 89.7 t -122.39 145.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.42 152.24 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.742 ' C ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.05 152.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.626 ' N ' HD13 ' A' ' 133' ' ' ILE . . . 92.36 -30.7 6.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.563 1.164 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.13 -54.09 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.79 . . . . 0.0 109.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 176.44 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.225 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.515 HG21 ' OG1' ' A' ' 78' ' ' THR . 1.4 mp 66.43 156.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' A' ' 131' ' ' VAL . 3.7 ttt -97.2 -35.35 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.71 97.88 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -90.41 120.34 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 141' ' ' ASN . 27.8 p30 -140.21 142.66 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 2.9 m -124.7 135.03 52.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 8.3 tm-20 -118.56 129.41 55.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.4 mt -93.48 128.92 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.575 ' NE ' ' H ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -104.24 177.95 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.575 ' H ' ' NE ' ' A' ' 145' ' ' ARG . 6.7 p-10 -137.56 145.56 43.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.836 ' HB ' HG22 ' A' ' 71' ' ' VAL . 38.5 t -150.83 142.83 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.19 -74.15 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 150' ' ' LEU . 18.3 Cg_endo -75.0 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -178.98 38.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.424 1.077 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.0 m -62.05 -39.43 92.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -58.67 -25.16 62.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.8 mttt 59.17 -170.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.42 ' CA ' HG22 ' A' ' 64' ' ' THR . . . 58.54 84.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.579 ' CD1' ' CD2' ' A' ' 150' ' ' LEU . 46.2 p90 -141.94 171.02 14.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -138.48 123.27 18.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.741 ' H ' HD23 ' A' ' 157' ' ' LEU . 1.2 pt? -101.39 136.91 40.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.5 159.02 43.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.392 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 1.194 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 6.7 p90 -138.42 153.95 48.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' ASN . 3.1 mt-30 -113.37 129.27 56.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -107.08 134.91 49.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.35 116.44 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 49' ' ' VAL . . . 50.28 48.98 39.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . 0.44 ' HB1' ' HE1' ' A' ' 96' ' ' PHE . . . -137.11 167.68 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 0.785 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 30.1 m -135.99 112.01 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.604 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -147.4 162.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.583 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . . . -130.7 157.41 42.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.49 HD21 ' HZ ' ' A' ' 159' ' ' PHE . 3.1 mm? -101.51 106.0 17.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 137' ' ' ILE . 24.7 t -80.75 -54.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 3.8 t -173.81 177.61 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.904 HG22 HG23 ' A' ' 75' ' ' ILE . 55.9 t -149.46 116.82 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.185 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 161.48 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.871 HG21 ' CZ2' ' A' ' 62' ' ' TRP . 37.6 t -129.65 157.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 175' ' ' TYR . 34.0 t80 -152.56 169.44 22.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . 0.41 ' N ' ' CG ' ' A' ' 174' ' ' PHE . 4.4 p90 -142.36 173.81 11.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 137.26 49.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -65.67 156.74 31.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.866 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -49.14 -54.93 24.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.866 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.2 Cg_endo -75.06 65.58 6.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.98 147.44 23.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . . . . . . . . . 46.6 m -117.41 127.19 53.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 182' ' ' VAL . 7.4 p -133.23 98.87 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 m -89.9 -50.85 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.949 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -161.73 112.61 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -133.16 147.13 52.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.9 t -108.64 155.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -122.85 154.37 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 173' ' ' VAL . 1.1 mt -67.1 -66.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.39 165.51 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.763 ' O ' HG12 ' A' ' 13' ' ' VAL . 39.1 t0 -124.16 151.43 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.93 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.2 p -68.44 -29.77 68.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -37.79 18.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 9' ' ' ASP . 8.5 t -70.16 -25.76 63.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.992 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.763 HG12 ' O ' ' A' ' 9' ' ' ASP . 13.1 p -90.38 40.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 13' ' ' VAL . 29.5 mt-30 -36.58 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' VAL . . . -52.68 -68.5 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 36.9 mt-10 -60.04 -120.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 10' ' ' SER . 4.1 mm? 76.43 -10.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 16' ' ' GLU . . . -79.19 -7.65 88.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.836 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -102.6 126.41 49.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER 174.87 -170.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.007 ' HB3' HD12 ' A' ' 58' ' ' LEU . . . -101.93 134.09 45.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.2 p -154.14 112.9 2.48 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' CG ' ' HA3' ' A' ' 27' ' ' GLY . 18.5 Cg_endo -74.91 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.3 mp -66.13 -36.82 84.15 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 1.5 mt-10 159.06 137.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.225 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.72 -37.32 3.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' HA3' ' CG ' ' A' ' 23' ' ' PRO . . . -65.64 -97.24 0.02 OUTLIER Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.695 ' HA ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.28 123.79 20.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' TYR . 12.8 mt-10 -118.64 142.24 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -100.4 111.38 23.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -134.21 137.39 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -99.26 127.91 45.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.733 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.7 pp -131.87 171.1 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 127.46 33.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.9 -172.95 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.69 -28.8 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.84 161.01 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -59.98 3.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 77.1 p -60.47 144.76 88.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 156.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.34 154.38 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -78.41 124.92 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 21.8 m-85 -116.59 136.66 52.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.63 153.6 49.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.695 HG13 ' HA ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -136.77 149.0 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 40.7 t -170.1 105.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 108.378 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.65 104.42 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG21 HD21 ' A' ' 85' ' ' LEU . 17.1 m -126.9 7.01 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -2.04 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -161.78 116.06 1.25 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.4 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.597 1.841 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 p 84.94 5.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.644 ' O ' HG23 ' A' ' 162' ' ' VAL . 32.9 mm-40 -79.68 137.54 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -157.31 58.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.19 124.91 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.7 t90 -86.07 114.93 23.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 107.946 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.007 HD12 ' HB3' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -115.96 128.33 55.66 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.427 1.08 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -115.85 116.29 27.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -110.94 150.74 28.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 110.441 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.21 169.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.92 -64.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 64' ' ' THR . 5.9 mt -125.13 158.55 33.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.003 HG21 ' CE2' ' A' ' 155' ' ' PHE . 24.4 m -124.28 143.94 50.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -99.1 162.69 12.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.37 164.08 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.87 -143.24 6.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.43 -174.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -38.58 90.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 147' ' ' VAL . 2.3 ptm180 -139.33 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 147' ' ' VAL . 1.0 OUTLIER -126.16 -161.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.75 ' N ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -150.1 129.16 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.815 HG12 HG12 ' A' ' 173' ' ' VAL . 7.0 mt -114.08 136.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -121.54 109.85 15.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.832 HG23 HG22 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -109.78 128.79 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -112.01 119.86 39.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.599 ' CD1' ' OD1' ' A' ' 141' ' ' ASN . 42.2 p90 -140.3 161.65 37.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.849 HG21 ' HA ' ' A' ' 137' ' ' ILE . 16.6 m -123.78 128.59 49.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -103.36 146.75 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -91.18 158.68 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.46 123.54 29.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.8 t -81.42 -12.59 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.55 -25.72 52.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -79.59 -19.88 48.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -72.08 176.19 2.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.67 ' HD2' HD23 ' A' ' 85' ' ' LEU . 18.4 Cg_endo -74.96 76.74 3.3 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' MET . . . 48.75 42.34 28.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.563 ' O ' ' CB ' ' A' ' 89' ' ' MET . 1.5 t 67.82 -63.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.563 ' CB ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER 86.01 -36.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.99 -26.57 7.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -84.36 19.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 126.95 47.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 156.3 26.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.78 35.93 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.3 p -147.18 148.06 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 166' ' ' ILE . 0.1 OUTLIER -114.25 169.09 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -125.38 124.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.888 HD11 ' CD2' ' A' ' 159' ' ' PHE . 2.7 mp -109.71 135.47 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -133.31 170.31 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.9 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 p90 -153.31 166.29 33.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -160.93 119.83 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -97.02 156.13 16.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.57 153.86 20.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.117 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 170.8 8.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -55.88 -34.32 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.229 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.21 125.55 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.05 110.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.63 173.28 14.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 153.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -77.92 143.91 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.25 -41.79 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -45.77 91.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -55.45 -47.87 75.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -57.85 -45.78 85.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 63.54 131.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 22.7 m-85 -62.58 160.38 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.423 HG11 ' OH ' ' A' ' 100' ' ' TYR . 12.1 t -124.31 101.04 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -70.82 126.09 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' A' ' 98' ' ' LEU . 32.4 mt -65.7 -73.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.17 178.24 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.5 m -99.46 125.82 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 98' ' ' LEU . 5.0 pt -112.46 140.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.42 165.95 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.28 100.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 128' ' ' PHE . 0.3 OUTLIER 167.15 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 0.0 109.217 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 69.03 -60.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 125' ' ' ASP . 3.7 m -137.39 44.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 125' ' ' ASP . 3.9 p90 -100.1 125.42 46.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -112.59 136.26 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -89.54 108.63 19.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.6 p -114.12 142.47 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -89.92 93.47 9.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.1 tt -121.69 160.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.68 10.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 136' ' ' ARG . 2.8 p-10 -79.6 -47.68 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 135' ' ' ASP . 7.0 mtt85 162.21 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.849 ' HA ' HG21 ' A' ' 78' ' ' THR . 9.1 pt -62.34 91.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -94.4 -12.44 27.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.76 104.44 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.2 mp -82.68 134.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.599 ' OD1' ' CD1' ' A' ' 77' ' ' PHE . 1.9 m120 -128.58 124.78 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.36 123.55 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.45 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.416 ' HG2' ' CG2' ' A' ' 122' ' ' ILE . 0.7 OUTLIER -135.6 131.31 35.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.294 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 79.2 mt -109.62 137.89 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.439 ' CG ' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -119.98 174.07 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.07 150.47 51.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.866 HG12 HG22 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -158.37 163.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -135.42 147.16 19.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.568 1.168 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.54 39.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.38 176.11 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.185 . . . . 0.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.15 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.18 137.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 119.96 75.57 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 1.003 ' CE2' HG21 ' A' ' 64' ' ' THR . 7.3 p90 -124.59 168.23 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -153.38 172.64 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.735 ' H ' HD23 ' A' ' 157' ' ' LEU . 2.3 pt? -126.46 150.83 48.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 58' ' ' LEU . . . -135.11 158.42 44.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.888 ' CD2' HD11 ' A' ' 98' ' ' LEU . 5.7 m-85 -119.75 161.18 21.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.38 115.27 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -97.12 119.17 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 54' ' ' GLN . 8.6 p -133.61 117.66 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.405 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 39.87 57.39 2.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.5 156.88 41.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 57.6 m -121.18 107.37 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.718 ' O ' HD13 ' A' ' 166' ' ' ILE . 0.0 OUTLIER -143.25 151.82 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' THR . . . -120.02 152.26 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.48 105.02 15.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.7 t -76.84 -58.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 162.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.832 HG22 HG23 ' A' ' 75' ' ' ILE . 45.7 t -149.37 116.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 1.9 mpp_? -118.26 162.12 18.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.815 HG12 HG12 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -135.35 132.53 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 72' ' ' TYR . 3.4 p90 -154.15 168.97 24.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 175' ' ' TYR . 9.0 p90 -120.0 159.43 24.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -129.94 151.19 50.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -72.76 116.83 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 179' ' ' PRO . . . -54.41 -54.25 50.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.402 1.064 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 178' ' ' ALA . 18.6 Cg_endo -75.03 73.21 4.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.46 1.768 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.72 149.56 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 181' ' ' THR . 9.3 t -66.29 117.19 8.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 14.5 p -145.55 145.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.967 . . . . . . . . 0 0 . 1 stop_ save_