data_2l4v_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 2l4v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.786 0.244 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -139.29 104.19 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -173.99 164.65 2.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.29 179.85 2.69 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.578 2.186 . . . . 0.0 112.275 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.414 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.47 156.36 77.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.93 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.607 2.205 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.39 124.08 51.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.68 -179.27 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.07 -68.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -177.29 -174.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.81 163.86 16.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.718 0.294 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.71 168.99 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -174.93 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.27 175.53 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -105.72 87.47 2.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.51 164.91 32.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.549 2.166 . . . . 0.0 112.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.89 158.51 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 164.08 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.18 141.98 3.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.04 -167.58 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.98 62.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -177.57 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.31 111.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -176.12 69.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 -25.29 59.12 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.239 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.41 80.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.44 -36.81 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.36 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -93.91 17.36 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.39 -30.66 66.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 59' ' ' LYS . . . 133.87 -42.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.654 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -63.61 -54.65 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.045 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.3 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' HA2' ' A' ' 56' ' ' GLY . 4.5 pttt -56.31 -40.58 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.95 -45.32 86.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.46 -46.62 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.93 -53.02 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.95 -54.36 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.03 -37.21 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.16 -54.83 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.78 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.65 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 42.0 t -52.9 -54.98 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -64.04 -29.74 70.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.24 -43.15 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.18 -19.09 25.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -84.82 -25.62 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.63 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.92 -35.64 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.244 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.12 -43.16 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.441 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.75 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.84 169.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.347 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.53 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.74 89.37 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.3 132.95 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -82.68 149.48 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -103.8 -37.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 174.8 165.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.5 m -88.29 144.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.34 -13.48 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.638 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -147.9 151.04 35.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.911 0.386 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.61 129.71 16.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 151.99 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -112.02 151.4 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.28 145.71 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.76 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.96 120.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 m -161.29 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.002 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 42.3 m 59.11 28.19 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.92 -111.71 0.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.305 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.68 114.61 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.007 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.445 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.7 ttm -112.91 131.05 55.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -116.03 118.81 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 111.25 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.437 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -103.39 101.35 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -122.49 141.55 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.02 139.31 41.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.435 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.49 160.86 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -89.41 133.51 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.6 t -124.0 148.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.94 0.4 . . . . 0.0 111.458 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -126.67 147.8 49.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.744 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -151.37 108.41 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.02 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.96 29.53 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.14 -27.51 16.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 109.53 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -104.28 136.43 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -160.35 175.62 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.5 tp -115.01 121.24 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 5.5 m-85 -121.55 141.28 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.06 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.41 145.45 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -136.1 131.09 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.6 ptpt -116.26 115.64 26.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.59 150.15 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.161 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.467 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 27.6 t90 -125.85 141.51 51.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.14 126.42 9.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.467 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.5 mp0 -99.93 174.28 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.995 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -116.39 -38.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -82.54 -21.08 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 ttt -97.64 -25.33 15.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.706 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 52.08 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.17 150.42 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.8 132.65 12.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.76 175.28 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 tt -87.9 135.04 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 4.3 mp0 -93.68 -58.01 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -145.76 156.73 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 111.686 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 9.9 t80 -137.86 109.23 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.181 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.97 151.25 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.065 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.425 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.9 p90 -111.47 110.06 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.43 -170.09 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.65 -78.87 0.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -167.03 149.57 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.095 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.786 0.244 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 107.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 154.7 1.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 168.49 21.42 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.565 2.176 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.33 156.55 79.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.27 -168.24 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.79 -169.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.12 -174.7 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.18 -177.42 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.44 -176.84 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.67 160.12 39.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.742 0.306 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.27 145.18 59.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.609 2.206 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 144.14 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.69 -169.3 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -138.41 87.52 15.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 167.39 25.17 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.555 2.17 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.38 158.47 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -179.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.8 166.7 24.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.16 -165.4 27.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.32 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -170.16 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.99 132.12 53.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.22 52.55 3.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.5 Cg_endo -59.15 -73.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.519 2.146 . . . . 0.0 112.343 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt 58.69 56.29 4.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -59.42 -29.46 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -84.37 57.71 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -100.12 17.26 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.35 -29.58 66.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.89 -52.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.593 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -60.23 -43.16 96.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -69.72 -53.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -58.15 -45.58 87.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.23 -46.57 83.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.52 -42.47 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.45 -53.75 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -54.34 45.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -37.94 80.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -58.93 -61.93 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.76 -54.08 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 46.8 t -51.31 -51.93 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -28.67 68.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.03 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.768 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -88.79 -19.22 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -84.81 -25.91 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.85 -35.15 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -51.69 -43.49 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.84 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.747 0.308 . . . . 0.0 111.373 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 168.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.402 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.21 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.307 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.17 86.36 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.47 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -137.96 133.3 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.241 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.99 149.61 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.626 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 m -103.76 -37.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 174.38 165.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 m -89.63 142.06 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.238 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.86 -15.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.451 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -148.22 151.69 35.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -152.96 137.47 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.1 153.47 35.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.9 152.04 25.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 7.3 mt-30 -148.42 154.06 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.718 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.16 116.79 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.274 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 m -160.0 101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 48.5 m 60.85 25.77 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.93 -112.61 0.57 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.223 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -144.89 114.72 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.463 ' HE3' ' CG ' ' A' ' 116' ' ' TRP . 2.4 ttm -113.9 128.24 56.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.663 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -114.34 123.21 48.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.125 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 5.1 m-85 -110.0 108.96 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -131.73 141.69 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 0.0 111.199 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -107.7 135.32 49.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -136.55 159.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 111.325 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.35 135.99 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.42 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 16.2 t -126.81 150.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -126.68 147.58 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.753 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -145.99 106.8 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.039 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.01 29.82 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.64 -27.8 15.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -70.38 109.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -99.02 139.86 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 16.3 mttm -161.51 173.05 15.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.6 tp -114.61 120.67 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.2 m-85 -120.78 146.72 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.59 143.46 30.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -133.97 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.9 ptpt -123.73 117.41 24.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.72 150.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.468 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.4 t90 -127.21 144.38 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -154.54 124.65 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.468 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.9 mp0 -99.77 175.31 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.54 -37.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.411 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -83.57 -20.88 32.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.41 -24.97 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 110.704 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.49 42.1 9.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.21 139.38 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.21 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -162.79 175.31 11.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.95 137.58 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -61.01 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -146.02 157.19 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 111.378 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.509 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 5.8 t80 -138.63 106.89 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.267 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.06 151.22 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -108.63 109.73 21.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.52 -179.42 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.03 -72.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.51 160.23 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.116 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.811 0.255 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -129.11 100.33 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -176.16 165.46 1.75 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 179.84 2.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.616 2.211 . . . . 0.0 112.242 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG21 ' CZ3' ' A' ' 116' ' ' TRP . 4.4 m -133.39 156.04 80.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.89 -167.97 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.775 2.316 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.5 119.32 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.51 171.8 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -177.59 98.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.53 179.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 168.32 17.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.736 0.303 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 177.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.523 2.149 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.5 -174.53 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.72 169.54 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -105.46 87.9 2.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.35 166.0 28.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.535 2.157 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.93 158.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.16 173.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.82 144.57 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.24 -164.76 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mm -77.68 69.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -177.5 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -74.47 109.49 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -175.45 63.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.98 -25.99 23.75 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.185 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 59.67 63.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.69 -29.31 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -83.99 58.19 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.37 17.21 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.41 -30.8 67.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.08 -47.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.553 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -65.95 -40.45 91.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.03 -50.83 37.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -59.51 -42.23 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.85 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -57.28 -45.24 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.15 -52.94 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -54.31 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -35.27 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.25 -58.49 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.83 53.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 46.0 t -51.4 -51.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -28.04 67.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.63 -41.85 92.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.8 -19.18 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -84.86 -27.06 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.519 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.88 -36.04 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -51.44 -42.95 61.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.372 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.69 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.339 . . . . 0.0 111.227 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.26 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.272 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.75 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.72 44.21 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.042 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -178.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.88 134.01 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.313 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.62 149.46 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.0 m -104.54 -37.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 176.24 164.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.28 142.35 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.23 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -118.49 -15.14 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.678 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -148.04 156.01 42.14 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.938 0.399 . . . . 0.0 111.255 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.2 130.53 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 155.39 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -116.94 157.37 25.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.19 149.49 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.0 t -111.62 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.32 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m -160.31 100.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.9 m 60.81 25.13 15.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.15 -112.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -145.46 114.71 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.418 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 2.8 ttm -111.29 145.59 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.433 ' CD2' ' HB ' ' A' ' 115' ' ' VAL . 0.4 OUTLIER -138.06 118.45 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 3.8 m-85 -101.45 103.82 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.414 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.05 141.64 47.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 1.2 m -111.56 132.91 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.432 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 161.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 111.331 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.34 133.67 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.464 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t -123.88 151.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.473 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -126.67 143.82 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.754 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -143.56 104.02 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.18 29.68 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.36 -27.02 18.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.568 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -69.18 109.52 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -98.0 133.32 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 20.2 mtpt -156.55 171.0 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.19 119.88 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.555 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.3 m-85 -120.08 145.16 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.8 OUTLIER -99.15 146.01 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -134.86 130.24 35.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 5.2 ptpt -113.33 114.47 26.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.433 ' HB ' ' CD2' ' A' ' 96' ' ' HIS . 13.2 t -106.67 150.07 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.464 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.7 t90 -125.81 142.09 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.75 124.19 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.464 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.4 mp0 -99.21 174.3 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.03 -37.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.33 -20.37 34.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -24.47 15.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.17 48.92 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.89 148.45 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.81 128.5 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.79 173.23 14.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 tt -87.15 136.55 32.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.698 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -93.83 -55.09 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.249 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -145.32 157.01 44.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 0.0 111.705 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.504 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.8 t80 -136.42 109.54 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.4 p -98.98 151.29 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 111.059 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 23.6 p90 -111.23 110.28 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.4 mt -87.81 -169.97 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.0 -68.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -176.62 160.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.082 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.826 0.261 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.14 99.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -170.21 160.55 6.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 135.32 30.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.572 2.181 . . . . 0.0 112.291 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -108.87 156.49 38.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.2 Cg_endo -74.53 -168.21 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.609 2.206 . . . . 0.0 112.372 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.69 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 169.66 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.83 93.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -168.84 158.0 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.87 156.99 79.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.524 2.149 . . . . 0.0 112.299 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.562 0.22 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.17 -167.63 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.435 2.09 . . . . 0.0 112.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.02 -167.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -148.3 -178.5 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -132.43 90.95 32.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.61 166.84 24.54 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -66.77 158.96 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.93 118.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.71 -156.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.53 76.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -171.16 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.5 110.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -136.64 50.49 3.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 82.4 Cg_endo -77.59 -30.89 3.64 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.113 . . . . 0.0 112.255 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.9 tp 56.73 96.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -85.1 -21.33 29.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -94.65 43.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -93.76 17.05 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -65.19 -51.29 61.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.03 -54.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -67.52 -42.9 82.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.81 -48.09 60.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -59.89 -41.9 92.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.86 -44.26 77.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.4 -45.31 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.9 tp -65.87 -53.15 43.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.99 -54.31 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -37.03 84.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.47 -56.42 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.94 -54.51 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.051 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 41.8 t -51.79 -55.04 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -64.4 -29.35 70.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.57 -42.36 95.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.62 -19.26 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.65 -25.67 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.605 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.95 -35.49 25.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 111.243 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -51.58 -43.47 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.435 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.36 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.91 170.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.347 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.82 87.13 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.5 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -138.55 134.87 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.84 149.5 27.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 m -103.38 -36.87 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 175.52 164.66 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -90.43 141.28 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.33 -19.53 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.346 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -145.4 153.64 41.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.15 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 151.58 48.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 96' ' ' HIS . 11.6 mp0 -110.5 150.61 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 10.6 tt0 -155.06 153.56 31.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.74 121.47 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.1 m -159.36 98.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.404 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 28.9 t 60.26 27.63 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.32 -113.11 0.58 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.4 mmt -143.99 114.72 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.42 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 2.7 ttm -112.75 146.59 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.749 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.422 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 3.8 t-160 -138.0 120.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -105.26 101.74 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.23 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 96' ' ' HIS . 2.0 pt? -118.5 141.58 48.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.365 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 1.9 m -109.04 129.36 55.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.32 160.39 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 111.349 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.34 134.25 34.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.429 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.9 t -123.37 151.14 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 0.0 111.505 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -129.95 149.96 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -154.55 110.03 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.72 29.62 9.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.315 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.0 -27.73 16.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -70.3 109.51 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -106.28 141.13 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 33.4 mttt -163.58 175.86 10.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 tp -114.2 120.09 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.615 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.6 m-85 -121.56 146.65 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.1 OUTLIER -100.01 144.19 29.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.429 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -134.48 132.66 39.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.207 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 4.4 ptpt -115.68 115.25 26.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.59 150.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.274 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.457 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.7 t90 -125.97 142.77 51.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -152.01 122.06 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.7 mp0 -98.29 174.09 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.52 -37.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.404 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.27 -20.75 33.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -25.01 15.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.36 45.93 6.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.09 139.23 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 126.03 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -162.71 173.4 13.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tt -87.25 139.92 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.666 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -97.37 -54.34 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.224 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -145.52 155.98 43.42 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.296 0.57 . . . . 0.0 111.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.504 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 9.5 t80 -137.42 107.83 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 12.1 p -98.9 151.27 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p90 -109.69 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.5 mt -88.08 -169.6 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.99 -71.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -176.9 160.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.101 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.786 0.244 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 39.59 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -140.36 162.44 49.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -179.9 3.28 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -127.51 156.69 74.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.3 Cg_endo -74.35 -168.21 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.84 -169.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.17 171.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.87 -176.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.77 -174.42 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.52 155.12 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.578 2.185 . . . . 0.0 112.276 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 172.18 13.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.582 2.188 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.75 162.55 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 -171.95 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 2.7 m-70 -106.13 145.65 31.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.48 -170.38 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 tt -115.75 158.66 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.44 149.36 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.18 166.58 22.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.88 -155.41 31.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.89 75.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -177.31 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.07 127.56 32.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -142.72 52.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 75.9 Cg_endo -77.49 -33.39 2.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.553 2.168 . . . . 0.0 112.409 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 2.3 tt 56.88 76.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.84 -56.17 25.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.06 67.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -105.63 17.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -58.81 -30.87 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.61 -49.95 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -64.79 -37.49 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.01 -50.65 39.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -60.24 -38.42 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.95 -56.01 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.55 -42.14 87.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.78 -53.58 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.87 -54.28 46.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.57 -37.11 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -58.6 -59.09 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.52 -53.5 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 48.5 t -51.31 -50.98 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -28.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.7 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -41.63 96.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -90.34 -20.06 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -84.94 -23.8 28.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.41 -35.63 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.393 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.82 -45.67 59.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.85 -32.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.593 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.15 173.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.239 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.59 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.79 80.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -176.88 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -138.98 140.58 38.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -85.33 149.44 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 28.2 m -104.18 -38.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 9.3 ptm180 178.13 165.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.817 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -90.53 143.83 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.85 -17.56 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -146.33 156.13 43.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.188 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.72 125.76 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 148.51 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -116.8 127.47 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.409 ' OE1' ' CD1' ' A' ' 97' ' ' TYR . 13.8 mt-30 -136.62 153.51 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.06 122.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -161.01 99.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.403 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.3 m 60.66 25.52 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.772 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.71 -112.37 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.186 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -145.26 114.67 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.419 ' HE3' ' CG ' ' A' ' 116' ' ' TRP . 5.8 ttm -117.94 129.79 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -118.23 120.04 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.242 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -99.07 94.43 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.65 141.59 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.7 m -113.32 135.17 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.284 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.68 161.47 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.38 134.13 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 13.9 t -123.6 154.6 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -130.92 146.36 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.773 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -145.62 106.82 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.04 29.72 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.267 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.56 -27.7 15.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -69.79 109.55 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -99.26 140.41 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 mttt -162.21 173.41 14.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.7 tp -114.15 119.77 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.8 m-85 -120.39 143.03 48.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.01 144.72 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 129' ' ' PHE . . . -137.12 130.16 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.2 ptpt -119.43 117.76 29.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.67 150.11 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.254 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.457 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 23.5 t90 -125.49 143.32 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -153.28 123.71 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.75 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.6 mp0 -100.26 174.45 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.38 -37.84 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.7 p90 -82.56 -21.17 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.61 -25.04 15.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.69 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.35 45.08 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -132.45 140.52 48.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.401 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -146.55 127.4 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -162.7 173.78 13.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tt -77.99 139.9 39.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.74 -60.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -146.23 157.13 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.322 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.498 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 5.9 t80 -137.67 109.98 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.233 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.8 p -98.95 150.84 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.114 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 17.0 p90 -109.74 105.85 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.9 mt -88.54 175.08 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.73 -74.8 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -173.55 158.84 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.066 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.812 0.255 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tttp 61.32 86.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -176.8 158.29 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.21 -179.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.579 2.186 . . . . 0.0 112.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -141.56 156.34 66.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.6 Cg_endo -74.8 -168.1 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.47 119.57 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.92 156.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.96 83.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.75 148.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.48 158.58 35.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--N 1.344 0.291 0 C-N-CA 122.533 2.156 . . . . 0.0 112.335 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 170.1 17.32 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.55 2.167 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -176.53 153.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -88.08 149.34 45.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -168.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.561 2.174 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -121.06 134.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 ptp 45.58 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.352 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.02 167.31 27.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.22 131.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mm -96.01 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.91 31.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -123.29 -67.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 56.43 52.96 7.14 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -76.68 -44.95 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.394 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 6.1 tt 52.01 73.02 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -59.67 -54.54 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.16 73.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -105.61 17.13 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -59.0 -30.71 68.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.4 -46.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -66.5 -35.06 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.77 -50.35 25.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -60.42 -41.27 93.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.26 -44.55 68.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.42 -45.66 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.46 -53.19 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.27 24.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.83 -38.84 92.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.719 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.54 -53.57 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.27 -54.15 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 44.3 t -52.54 -52.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -66.46 -28.71 68.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.83 -42.51 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -89.28 -18.8 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -85.51 -26.59 26.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.563 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -81.31 -35.61 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.243 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -42.13 60.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.17 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.299 . . . . 0.0 111.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.06 169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.52 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 88.75 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -176.41 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -138.83 133.17 31.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.46 149.51 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.1 -36.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 175.47 164.78 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -89.86 141.46 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.261 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.23 -14.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.487 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -147.68 155.88 42.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.48 127.42 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -135.14 158.72 43.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.92 150.39 43.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -156.47 149.67 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.2 t -110.69 122.62 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -160.23 97.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.4 m 60.5 27.24 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.27 -112.1 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.267 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -147.82 114.73 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.434 ' HE1' ' CD1' ' A' ' 116' ' ' TRP . 7.2 ttm -114.95 141.72 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.22 127.61 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.163 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -108.65 95.72 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.51 141.72 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.405 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.61 135.23 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.392 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.17 158.49 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.329 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -89.34 132.74 34.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 21.8 t -119.3 151.74 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.987 0.422 . . . . 0.0 111.534 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.44 146.94 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.586 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -137.75 86.66 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.57 31.44 7.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.424 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.67 -39.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.36 109.42 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -107.88 140.35 41.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 13.9 mttp -165.24 176.09 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.94 121.76 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.1 m-85 -121.78 142.67 49.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.13 141.15 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -132.89 130.05 39.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -118.25 118.02 30.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.71 150.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.6 t90 -126.58 141.84 51.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.45 126.02 9.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.752 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.89 175.12 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.75 -37.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -83.87 -21.2 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -25.2 15.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.21 41.89 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.07 140.98 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 130.32 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -162.68 173.92 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.274 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -80.9 133.76 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.663 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -63.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -146.55 157.21 43.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.149 0.499 . . . . 0.0 111.344 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.513 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 11.4 t80 -135.82 107.45 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.302 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p -98.94 150.02 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.025 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 34.5 p90 -106.41 111.1 23.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.89 -169.87 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -103.57 83.3 0.41 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 47.29 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.059 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.251 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.94 79.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 149.43 0.85 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.94 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.418 HG22 ' CE3' ' A' ' 116' ' ' TRP . 4.4 m -148.78 156.57 41.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.9 Cg_endo -74.36 -168.16 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.6 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.12 150.57 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -176.85 102.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.63 167.99 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.55 154.16 81.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.555 2.17 . . . . 0.0 112.313 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.722 0.296 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.0 -176.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -174.38 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.85 -179.6 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -128.65 88.35 52.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 96' ' ' HIS . 55.0 Cg_endo -69.78 160.59 49.14 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.567 2.178 . . . . 0.0 112.312 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 tp -92.9 154.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -177.71 20.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.72 -172.15 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -81.62 78.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -177.55 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.74 146.42 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -163.11 52.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.4 Cg_endo -77.23 -32.21 3.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.9 OUTLIER 57.28 89.34 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -79.59 -30.96 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -86.66 66.22 9.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.8 17.09 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -62.4 -31.28 71.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.67 -49.74 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.4 -37.18 80.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.61 -46.33 54.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.53 -41.79 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.02 -49.21 59.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -57.21 -43.45 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.71 -52.97 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.74 -54.38 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -36.35 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.74 -57.33 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.1 48.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 46.7 t -51.36 -53.2 16.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -66.95 -29.21 69.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.1 p90 -91.4 -20.1 22.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -84.92 -23.01 29.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.701 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.98 -35.95 23.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.334 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -50.63 -46.03 58.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.49 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.87 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.507 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.02 173.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.897 0.38 . . . . 0.0 111.274 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.08 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.208 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.09 86.45 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.78 -177.49 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -138.61 133.09 32.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.8 149.52 29.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -104.18 -36.61 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 176.63 163.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.34 141.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.345 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.2 p -115.84 -17.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -147.06 156.72 43.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.422 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -162.02 122.59 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.39 154.36 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -125.14 150.24 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -157.46 160.04 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 123.5 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.395 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -158.94 95.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 14.1 m 61.25 26.73 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.12 -111.69 0.55 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.092 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.2 mmt -146.31 114.72 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.432 ' HE1' ' CG ' ' A' ' 116' ' ' TRP . 1.7 ttt -111.96 146.14 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.764 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 41' ' ' PRO . 8.8 t60 -138.0 117.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.4 m-85 -102.53 103.91 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -117.36 141.69 48.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.997 0.427 . . . . 0.0 111.526 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -111.68 129.79 55.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.321 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.13 161.15 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -89.31 130.67 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.423 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 17.2 t -120.5 149.59 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -127.57 144.96 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.649 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.38 109.68 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.01 29.41 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.8 15.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -67.57 109.5 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.88 132.11 47.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -158.12 173.56 16.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.153 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.0 tp -114.87 121.39 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.599 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -120.84 147.43 45.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.9 OUTLIER -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -134.31 131.45 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 6.9 ptpt -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.63 150.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.257 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.3 t90 -125.62 142.79 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 121.19 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.84 174.04 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.76 -38.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -82.55 -21.25 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -25.2 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 46.53 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -132.42 137.97 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.44 125.26 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.404 ' OE1' ' CE1' ' A' ' 123' ' ' PHE . 1.9 pt20 -162.71 174.95 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 tt -87.55 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -94.21 -59.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -141.62 157.17 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.23 0.538 . . . . 0.0 111.758 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.497 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 8.1 t80 -136.81 109.1 7.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.086 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -98.97 151.28 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.073 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.432 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 31.2 p90 -111.1 110.98 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.33 -170.17 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.32 -68.01 1.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -176.08 161.23 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.08 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.825 0.261 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -116.81 106.21 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -174.45 150.52 1.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.86 179.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -140.67 155.82 69.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.7 -167.99 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.59 119.7 12.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.56 161.5 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.66 177.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 72.99 86.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 167.68 0.94 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.196 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.179 . . . . 0.0 112.326 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 155.29 70.82 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.464 2.109 . . . . 0.0 112.302 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -174.28 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.42 178.6 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -112.99 88.51 12.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.3 170.68 15.46 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.545 2.163 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -114.94 158.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -176.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.97 138.3 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -163.89 0.12 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 89' ' ' GLN . 16.9 mm -87.88 53.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -174.12 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.69 118.98 5.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.73 63.27 0.87 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.25 -27.52 38.6 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.462 2.108 . . . . 0.0 112.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 57.67 69.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.54 -31.98 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.2 52.58 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.19 17.17 13.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -58.49 -30.46 67.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.04 -44.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.58 -43.35 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -67.63 -52.32 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -57.7 -41.72 82.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.54 -43.87 79.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.78 -45.72 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.26 -53.59 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -54.3 31.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.23 -38.48 89.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.677 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.82 -57.29 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.14 -53.94 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 47.4 t -51.44 -51.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -67.02 -28.22 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -42.61 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.08 -19.17 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.09 -26.08 27.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.627 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.24 -35.24 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.236 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -51.76 -43.28 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.415 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.63 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.376 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.41 169.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.05 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.97 90.47 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.56 -176.21 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.701 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.17 133.01 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -83.24 149.46 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 30.3 m -104.69 -35.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.265 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER 174.45 163.72 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 m -88.33 141.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.38 -13.87 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.569 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -148.12 156.86 43.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -157.59 130.63 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.97 149.99 47.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -112.5 133.81 54.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 97' ' ' TYR . 1.2 mt-30 -134.29 157.93 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.06 118.05 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 m -159.94 102.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 49.2 m 58.91 23.62 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.84 -115.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.179 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.3 mmt -144.82 114.69 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.441 ' HE1' ' CD1' ' A' ' 116' ' ' TRP . 2.7 ttm -112.04 143.44 43.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.24 116.89 18.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.224 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.76 97.32 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.408 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.81 141.62 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 138.27 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.354 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.07 156.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -89.41 124.75 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.3 t -113.91 152.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.592 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -125.32 145.34 50.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -131.01 86.65 2.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.84 29.51 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.02 -38.29 2.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.85 109.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -99.96 139.33 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -163.87 174.02 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.9 tp -116.97 121.55 41.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.667 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.4 m-85 -120.59 144.08 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.12 34.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -128.34 126.97 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.458 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 7.0 ptpt -115.22 116.14 27.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.864 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.7 p -106.59 150.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.466 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.8 t90 -126.15 141.71 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.08 129.08 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.466 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -105.35 176.71 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.1 -36.57 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.0 p90 -84.22 -21.97 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -24.73 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.723 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.61 41.74 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -128.05 138.13 52.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 127.45 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -162.71 171.82 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 tt -78.51 136.56 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.748 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -91.67 -61.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.38 157.23 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.099 0.476 . . . . 0.0 111.418 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 10.3 t80 -137.93 105.82 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.262 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.2 p -99.06 150.88 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 36.7 p90 -106.09 111.23 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.51 -170.66 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.68 82.96 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 47.27 -175.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.966 0.413 . . . . 0.0 111.595 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.1 -179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.805 0.252 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tttp 60.65 84.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 149.2 0.87 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 177.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -148.87 156.59 40.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.8 Cg_endo -74.46 -168.17 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.188 . . . . 0.0 112.367 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.85 119.71 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.24 167.28 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -176.75 100.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -176.51 166.67 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.09 160.42 68.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.548 2.165 . . . . 0.0 112.374 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 172.46 12.84 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.559 2.173 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.55 165.23 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.76 -175.24 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 2.8 m-70 -102.08 148.93 36.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.97 -174.92 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.585 2.19 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.16 158.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 129.0 39.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.8 -161.67 27.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.24 -176.12 14.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mm -75.38 79.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.23 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.27 -177.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.88 64.99 0.34 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.35 -65.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 54.93 53.92 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -58.14 -30.71 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -83.87 58.37 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.61 17.14 18.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -58.52 -30.97 67.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.37 -49.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.79 -40.69 88.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -69.05 -49.43 57.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -60.5 -40.99 93.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -65.77 -50.25 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.55 -43.47 89.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -53.62 53.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.2 -54.35 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -35.71 77.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.61 -58.17 9.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.761 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.42 -54.62 44.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.4 t -52.11 -55.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -63.59 -29.25 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -64.94 -43.06 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -89.55 -15.51 32.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -86.48 -33.6 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.432 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.93 -35.94 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.303 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -43.64 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.448 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.87 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.23 171.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.12 -168.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.327 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.07 40.49 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 171.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -136.89 132.48 34.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.92 149.44 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.733 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 m -104.31 -37.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 176.85 164.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 142.35 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.3 p -118.17 -14.98 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.564 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -147.96 156.32 42.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.893 0.378 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.04 130.1 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 152.76 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -111.77 159.76 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.5 142.87 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.732 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.09 120.52 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 m -159.32 97.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m 60.6 26.77 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.35 -113.03 0.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -144.57 114.71 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.42 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 2.4 ttm -112.41 145.0 40.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -138.02 116.66 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.198 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.7 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.244 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 141.65 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.487 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -109.7 134.42 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.56 161.61 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.396 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.24 131.14 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.235 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.434 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 18.3 t -124.62 143.03 39.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 0.0 111.706 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -120.09 148.76 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.552 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -148.08 105.08 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.99 30.33 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.96 -27.47 17.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -68.88 109.57 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -97.23 132.12 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.3 mttm -156.79 172.27 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.27 120.92 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.9 m-85 -120.22 143.81 48.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -98.17 147.97 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 129' ' ' PHE . . . -137.47 133.03 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 8.0 ptpt -115.1 116.77 28.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.49 150.14 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.176 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.451 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.7 t90 -127.47 141.78 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -150.79 121.87 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -97.66 173.48 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.402 HG13 ' CE3' ' A' ' 120' ' ' TRP . 11.1 p -116.26 -38.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.402 ' CE3' HG13 ' A' ' 119' ' ' VAL . 42.4 p90 -82.44 -21.18 35.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -25.16 14.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.762 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.0 139.78 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.07 126.43 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -162.79 173.35 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 111.206 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 tt -86.18 139.95 30.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 13.5 mp0 -98.51 -54.78 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -145.59 155.86 43.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.332 0.587 . . . . 0.0 111.79 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.498 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.0 t80 -136.03 109.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.003 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.9 151.36 20.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.436 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.8 p90 -112.2 109.89 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.58 -169.88 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.23 -70.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -176.36 158.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.464 -0.216 0 CA-C-O 120.827 0.261 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.42 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -177.24 151.84 0.94 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.2 179.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 112.304 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.97 156.45 79.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.67 -168.11 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.623 2.216 . . . . 0.0 112.289 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.2 119.72 29.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.42 142.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -177.0 79.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -169.37 161.89 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.7 164.18 15.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--N 1.345 0.352 0 C-N-CA 122.6 2.2 . . . . 0.0 112.305 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.661 0.267 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.25 -176.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.205 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 179.81 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -131.24 -176.58 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -131.08 87.93 46.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.36 173.85 10.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -81.35 158.54 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.94 160.18 9.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.18 -167.2 29.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 20.6 mm -82.49 78.81 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 1.9 m-85 -176.57 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.5 152.49 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -166.21 53.29 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -75.97 -35.71 2.36 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.579 2.186 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tt 55.99 62.46 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.01 -32.89 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.03 58.19 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -105.65 17.09 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -58.49 -30.73 67.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.74 -53.52 0.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.99 -40.68 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.75 -49.01 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -60.13 -44.2 95.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.22 -43.84 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.73 -45.41 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.25 -53.83 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.57 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.31 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.34 -55.36 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.8 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 56.6 t -51.36 -51.13 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.98 67.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -64.57 -40.67 95.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -91.23 -20.01 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -84.72 -23.94 29.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.21 -36.28 24.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 111.407 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -50.16 -45.52 53.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.5 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.6 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.489 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.5 178.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.58 -175.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.51 44.83 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.8 pp -59.76 178.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.41 119.25 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -69.85 149.47 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 m -103.6 -36.29 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 174.86 165.81 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -88.41 140.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.315 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 -17.72 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.386 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -145.81 153.6 41.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.92 132.01 10.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 154.9 47.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -112.81 142.32 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -141.48 154.48 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.14 117.93 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m -160.24 100.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 70.4 m 60.51 25.89 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.02 -113.09 0.58 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.161 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.8 mmt -145.95 114.63 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.449 ' HE1' ' CG ' ' A' ' 116' ' ' TRP . 2.3 ttm -113.16 124.38 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -108.28 126.25 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.278 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -112.76 97.43 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.297 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -123.74 141.59 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.42 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -106.72 139.49 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.486 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -137.0 160.82 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.515 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -89.31 140.61 29.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.472 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 14.8 m -113.96 151.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.469 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -135.17 135.94 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.673 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -137.26 86.72 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.59 30.24 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.367 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -39.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 109.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.752 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -105.96 133.49 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -153.49 -178.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.3 tp -130.17 113.9 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.472 ' CE2' ' CG2' ' A' ' 102' ' ' VAL . 10.5 m-30 -117.4 141.31 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.94 142.21 27.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -132.04 133.24 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.4 ptpp? -123.78 115.87 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.75 150.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.251 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.478 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.3 t90 -122.65 142.84 50.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -153.89 127.1 8.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.478 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.0 mp0 -100.15 175.33 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -114.97 -37.33 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.415 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.5 p90 -83.52 -21.42 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.995 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.3 tpp -97.28 -25.3 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.657 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.37 38.55 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 142.02 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.08 133.2 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -162.77 170.66 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.4 132.72 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.645 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.29 -62.33 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.979 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -147.06 156.63 43.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 111.327 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.504 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.6 t80 -137.41 109.14 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 6.6 p -98.98 151.4 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.834 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 26.6 p90 -111.32 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.46 -170.41 2.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.94 -70.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -176.96 166.87 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.115 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.465 -0.19 0 CA-C-O 120.792 0.247 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tttt 62.05 116.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -177.16 166.4 1.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.52 125.86 13.97 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.214 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -93.41 156.11 40.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.4 Cg_endo -75.24 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.27 119.69 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.28 159.66 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -177.27 87.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.59 176.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.92 163.28 52.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.345 0.347 0 C-N-CA 122.507 2.138 . . . . 0.0 112.281 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.739 0.304 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.95 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.77 -167.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -157.71 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -132.43 91.12 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 169.65 17.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.166 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.11 158.8 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 173.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.4 -173.92 45.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 -163.83 11.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mm -82.93 63.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.984 0.421 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -177.09 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.46 133.28 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.02 64.36 40.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 20.1 Cg_exo -65.46 -66.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 56.58 54.18 7.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.933 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -58.41 -30.76 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.61 58.01 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.53 17.24 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -58.44 -42.98 88.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.3 -47.8 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.559 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -66.13 -39.02 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.07 -50.09 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -59.78 -41.65 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.98 -45.36 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.55 -48.02 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.18 -53.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.27 -54.42 36.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.16 -36.18 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.72 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.55 -59.54 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.88 53.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 59.3 t -51.35 -52.76 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.69 -30.96 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -62.64 -41.65 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -92.02 -17.25 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -88.07 -20.49 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.535 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.47 -35.0 21.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.71 0.291 . . . . 0.0 111.292 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -85.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.375 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.44 13.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.325 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -84.96 -165.55 1.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.11 -164.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 88.12 2.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.42 -177.52 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -140.98 127.63 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -74.75 149.45 39.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.685 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 m -104.17 -37.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 174.65 166.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -88.97 142.03 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.222 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.04 -15.13 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.529 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -147.63 155.94 42.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -155.41 126.97 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 160.8 37.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 96' ' ' HIS . 64.3 mt-10 -117.13 158.91 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.51 141.67 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.72 121.19 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.277 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.6 m -160.1 96.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.4 m 61.41 25.84 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.82 -114.17 0.61 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.223 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -145.9 114.67 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.454 ' HE1' ' HB2' ' A' ' 116' ' ' TRP . 3.2 ttm -113.42 139.23 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.411 ' CE1' ' HG2' ' A' ' 88' ' ' GLU . 12.7 t60 -126.2 121.42 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.112 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.431 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -101.9 94.0 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.92 141.7 47.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.419 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.26 137.26 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.408 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.74 160.42 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 0.0 111.355 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -89.43 135.47 33.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.432 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 17.0 t -124.3 150.41 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.425 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -128.03 146.23 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.78 106.19 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.34 29.98 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.94 -27.33 17.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -69.23 109.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -100.06 137.03 39.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.1 mtmt -159.9 171.92 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 tp -114.48 120.92 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.644 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.6 m-85 -120.03 140.95 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.35 142.58 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -134.8 129.68 34.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.7 ptpt -119.18 117.98 30.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.59 150.14 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.454 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 24.9 t90 -125.51 142.65 51.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -152.45 125.74 8.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.29 175.09 5.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.64 -37.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -84.76 -21.0 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -24.93 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.07 139.18 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 128.6 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -162.71 172.71 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -77.61 138.87 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.4 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.17 -61.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -146.12 157.16 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 111.314 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 6.9 t80 -138.27 108.75 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.362 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.9 p -98.94 151.22 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 22.1 p90 -109.33 106.88 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.32 175.52 7.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -58.76 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -161.13 154.67 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.075 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.841 0.267 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 60.92 112.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -172.27 154.27 3.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.04 127.73 15.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.258 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -100.25 156.13 35.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 72.5 Cg_endo -75.0 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.85 119.56 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 175.26 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.99 84.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -168.53 -176.96 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.95 162.02 27.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 122.545 2.164 . . . . 0.0 112.318 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.734 0.302 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 179.4 3.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.207 . . . . 0.0 112.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.59 173.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.22 -171.96 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -104.9 149.15 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -172.85 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.52 2.147 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.76 158.52 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ptp -58.48 144.77 41.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.59 -175.75 44.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.17 -162.62 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 15.5 mm -87.42 68.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -177.02 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.52 140.17 47.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -141.23 53.0 3.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.3 Cg_endo -59.39 -74.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.592 2.195 . . . . 0.0 112.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 58.49 71.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -60.14 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -85.26 64.6 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.64 17.18 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.38 -37.13 74.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -48.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -64.72 -39.0 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.88 -51.01 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -59.84 -38.46 82.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.1 -52.04 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -58.31 -43.82 88.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.88 -53.33 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.27 45.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -37.5 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.86 -58.8 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.69 55.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.428 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 53.5 t -51.36 -50.37 28.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -67.77 -28.83 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.37 -41.92 96.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.74 -20.15 23.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -84.89 -23.73 28.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.735 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.67 -35.79 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.708 0.289 . . . . 0.0 111.4 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.3 -45.21 54.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.77 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.548 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.72 173.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.201 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.02 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.85 88.4 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -176.47 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.738 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -139.02 133.87 32.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.83 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.716 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 m -104.04 -36.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 176.09 164.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -89.88 142.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.79 -14.85 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.515 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -147.74 155.89 42.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -160.54 121.78 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.19 151.93 51.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.19 133.55 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HG3' ' CD1' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -130.99 155.59 46.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.61 117.59 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -160.61 102.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 17.6 m 60.15 26.36 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.788 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.43 -112.35 0.57 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.152 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.6 mmt -147.48 114.7 6.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.8 ttm -113.05 128.64 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -112.04 117.18 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.235 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.6 m-85 -103.11 98.63 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.46 141.66 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 135.13 52.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.402 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.42 158.96 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.267 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -89.35 130.93 35.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.441 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.9 t -119.5 150.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -126.06 146.14 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.667 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -151.6 111.46 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.79 29.36 7.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.365 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.24 -27.91 15.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.549 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 109.48 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.785 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -105.3 131.58 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 1.1 mtpp -157.68 178.2 10.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.3 tp -116.89 121.99 43.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.671 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.1 m-85 -121.18 144.45 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.7 140.81 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -131.31 127.41 37.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -116.48 117.26 29.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.001 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.64 150.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.452 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 23.8 t90 -123.7 143.09 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -152.62 123.26 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -100.02 174.2 6.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.948 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.45 -38.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.4 p90 -83.0 -21.19 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.92 -25.23 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.76 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.48 44.35 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.72 138.06 50.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -144.47 126.17 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -162.73 171.95 16.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.6 tt -76.89 138.85 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.623 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.19 -62.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -146.22 157.14 43.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.9 t80 -135.55 108.33 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 151.25 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.016 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.43 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 39.9 p90 -108.8 110.71 22.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.18 -172.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.46 84.07 0.51 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.83 -177.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 111.581 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.087 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.843 0.268 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -114.82 128.27 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -177.11 149.73 0.82 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -51.63 168.69 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.253 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.417 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -130.41 156.3 79.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.9 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.0 119.65 22.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.46 161.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -176.35 90.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 165.41 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.46 66.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.325 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 -167.81 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.152 . . . . 0.0 112.209 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -167.93 148.06 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.58 172.06 13.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -92.35 139.53 24.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 176.73 9.63 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.541 2.161 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -116.28 158.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.62 175.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.49 -118.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.37 -171.75 44.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.69 -11.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.586 0.232 . . . . 0.0 111.517 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -109.91 -29.92 8.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 146.61 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.9 52.38 0.28 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.3 Cg_endo -75.27 -39.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.5 2.133 . . . . 0.0 112.278 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 54.6 60.87 3.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -56.52 -28.52 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.48 45.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -94.7 17.21 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -58.49 -29.66 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.68 -53.83 0.79 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.579 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.21 -49.45 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -59.69 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.17 -48.71 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -58.03 -41.12 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.53 -53.25 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.55 -54.35 45.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.62 -37.22 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.32 -60.13 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.69 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 48.4 t -51.39 -51.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -67.31 -29.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -64.25 -41.6 96.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -90.13 -20.18 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -84.88 -23.48 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.746 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.96 -35.87 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.726 0.298 . . . . 0.0 111.372 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -50.26 -45.34 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.63 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.567 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.59 173.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.35 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.59 87.76 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.18 -177.04 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -139.49 131.6 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.139 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -78.83 149.58 32.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 m -103.66 -36.66 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.017 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 175.09 165.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.58 142.77 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.31 -13.86 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.542 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -148.13 154.53 40.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.52 127.62 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.048 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 161.58 37.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.762 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -117.72 159.77 22.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.059 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.23 142.59 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.63 118.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -160.54 101.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 62.3 m 59.59 25.38 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.61 -113.16 0.57 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.194 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -145.92 114.67 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.484 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.12 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.0 125.46 44.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.416 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -107.69 95.89 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.521 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.21 141.63 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.84 138.51 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.559 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.32 158.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -89.46 133.72 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.419 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.8 t -122.24 150.88 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.485 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -128.04 148.87 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.65 109.24 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.35 29.55 11.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.35 -27.8 15.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.34 109.53 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -102.54 142.57 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 11.2 mttp -165.59 175.73 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.67 121.26 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.673 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.5 m-85 -120.67 142.26 49.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.51 139.85 30.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.063 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.32 47.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -121.56 116.73 25.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.808 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.6 t -106.6 150.07 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.484 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 23.5 t90 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.15 122.46 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.47 173.83 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.84 -37.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.409 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -83.25 -20.73 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -24.78 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.11 44.86 7.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.81 138.67 50.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.97 127.19 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -162.71 173.85 13.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.7 139.19 40.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -58.11 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.269 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -146.93 157.19 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.343 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 9.2 t80 -139.8 106.79 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.307 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.6 p -99.04 150.21 22.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.3 p90 -107.04 110.51 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.08 -171.71 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.8 83.74 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.73 -177.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.977 0.417 . . . . 0.0 111.608 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.11 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.464 -0.224 0 CA-C-O 120.762 0.234 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 45.22 39.34 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.382 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -132.85 157.41 78.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 -179.95 3.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -128.36 156.45 76.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.7 Cg_endo -74.96 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.62 -169.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.06 158.1 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.52 -174.51 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.58 -177.99 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.25 156.37 41.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.344 0.34 0 C-N-CA 122.565 2.177 . . . . 0.0 112.234 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -51.54 -177.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.57 2.18 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.21 -168.89 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.44 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -112.62 91.3 16.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 177.76 4.41 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.499 2.133 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -85.26 158.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -177.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.87 154.87 6.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.05 -173.18 48.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.6 mm -75.37 63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -179.65 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 133.15 46.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -171.55 67.13 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.69 -30.06 44.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.49 2.127 . . . . 0.0 112.086 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.31 75.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.88 -35.75 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.52 48.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.84 17.17 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.5 -29.6 66.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.52 -39.47 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.19 -55.51 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.32 -53.26 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -59.32 -36.54 75.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.74 -60.34 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.288 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -56.52 -41.13 76.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.36 -53.83 51.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.09 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.35 -54.29 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.224 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.35 -38.78 88.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.46 -58.0 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' CA ' HD11 ' A' ' 126' ' ' LEU . . . -58.31 -54.4 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.418 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 45.7 t -51.31 -51.5 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -66.76 -28.43 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.46 -43.55 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -88.16 -19.47 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.18 -25.91 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.718 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.37 -35.03 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.8 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.438 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.4 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 111.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.78 169.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.367 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.71 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.31 89.42 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.42 -176.16 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -139.85 134.22 31.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.25 149.51 28.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.665 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 m -104.09 -37.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.008 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 175.28 165.54 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -87.86 145.75 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.2 p -121.71 -11.99 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.722 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -148.73 149.54 31.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.905 0.383 . . . . 0.0 111.183 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -145.88 133.89 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -146.1 142.41 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.16 145.8 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 12.2 tt0 -145.63 149.64 34.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.35 116.43 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -160.97 106.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t 60.03 26.26 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.06 -111.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.225 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.92 114.64 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.78 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.424 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 6.4 ttm -114.87 136.95 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.05 114.88 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -99.12 106.65 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -128.46 141.64 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 0.0 111.281 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -107.22 140.33 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.453 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.33 159.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.443 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -89.49 133.31 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.433 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.8 t -122.12 149.23 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 111.502 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -123.71 147.43 47.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.79 86.67 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.94 31.34 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.417 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.73 -39.28 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.545 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.89 109.49 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.739 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.49 133.48 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.7 mttp -157.01 173.89 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.6 tp -116.32 121.17 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.563 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -121.82 144.44 48.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.43 144.01 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 129' ' ' PHE . . . -135.75 136.83 41.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpt -121.1 119.12 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -106.56 150.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.6 t90 -127.55 143.3 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.14 124.96 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.462 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -101.13 174.78 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.8 -37.85 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -83.39 -21.34 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -25.46 15.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.675 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 44.31 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.15 140.87 50.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 126.14 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.67 175.36 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.289 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.405 HD11 ' CA ' ' A' ' 66' ' ' ALA . 3.3 tt -80.62 139.91 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.408 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -95.41 -59.63 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -146.71 157.18 43.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.515 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 6.4 t80 -138.45 106.84 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.429 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.0 p -99.03 151.3 21.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -111.25 111.85 23.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.821 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.24 -169.82 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.18 -67.34 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -177.01 161.19 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.099 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.805 0.252 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -132.17 108.22 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.36 164.83 2.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.77 141.31 53.92 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.614 2.209 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.419 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -108.7 156.44 38.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.71 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.47 119.74 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.34 159.89 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.91 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -168.89 170.7 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.09 160.15 69.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--N 1.344 0.329 0 C-N-CA 122.557 2.172 . . . . 0.0 112.275 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 167.98 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.54 2.16 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.46 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.29 -169.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -104.16 149.17 36.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.18 -168.13 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.578 2.185 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.1 tp -120.06 154.45 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 146.32 18.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.82 -163.81 34.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.76 -163.24 9.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -75.94 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.57 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.02 124.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -139.99 52.25 3.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 71.9 Cg_endo -77.33 -42.82 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.401 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 56.52 73.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.86 -49.51 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -70.65 65.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 17.19 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.39 -30.59 66.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.824 0.345 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.99 -48.92 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.563 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -40.61 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.789 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -69.83 -52.61 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -58.58 -45.86 88.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -60.19 -47.67 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.79 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.64 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -38.94 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.04 -54.94 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.15 -55.65 32.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.321 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.9 -54.43 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -63.51 -29.41 70.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.32 -43.48 90.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -88.94 -15.0 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -86.79 -33.9 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.408 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.89 -36.17 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.348 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -43.18 54.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.97 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.739 0.304 . . . . 0.0 111.278 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.7 171.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.396 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.01 -169.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.99 40.19 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.84 175.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -142.36 133.21 25.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.18 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.59 149.45 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -104.39 -35.61 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.055 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 176.29 164.25 0.41 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 m -86.96 143.1 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.0 p -117.15 -15.59 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.503 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -147.32 154.81 41.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.333 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.69 136.05 12.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.84 157.7 43.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.92 147.68 34.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.42 142.31 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -114.65 116.61 53.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 m -159.92 103.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t 59.75 27.22 16.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.11 -111.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.202 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -144.87 114.56 7.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.817 0.341 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.474 ' HE1' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -115.07 127.37 55.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -111.09 131.69 54.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -119.33 101.76 8.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 141.7 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.052 0.454 . . . . 0.0 111.269 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -106.03 142.76 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.589 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.27 158.53 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.26 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.28 124.3 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.404 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 9.9 t -114.03 144.61 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.069 0.461 . . . . 0.0 111.704 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -121.19 150.79 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -150.07 105.63 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.88 29.8 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.44 16.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -70.12 109.48 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -94.26 140.96 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 15.1 mttt -159.98 -178.71 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 111.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.8 tp -128.41 115.81 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.1 m-85 -117.49 140.01 50.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 1.3 tt0 -92.27 145.47 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.78 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.86 134.32 40.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.1 ptpp? -123.33 116.07 22.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -106.71 150.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.474 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 22.2 t90 -123.2 145.94 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.28 121.68 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.0 OUTLIER -101.88 176.29 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.868 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.36 -36.57 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -84.64 -20.57 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -23.19 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.727 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.49 50.98 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.56 143.64 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.713 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -153.77 119.07 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.75 174.15 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.25 139.99 44.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.403 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -97.12 -59.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -146.75 156.96 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.061 0.458 . . . . 0.0 111.202 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD2' ' CE2' ' A' ' 70' ' ' TYR . 6.2 t80 -136.14 109.78 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.417 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.01 151.2 21.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.044 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.426 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 25.6 p90 -111.2 111.12 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.72 -169.33 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -104.63 83.68 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 p30 47.85 -178.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.68 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.077 -179.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.83 0.262 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.61 107.2 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.65 157.36 1.2 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.81 179.52 1.75 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.577 2.185 . . . . 0.0 112.273 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -132.42 156.14 80.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.5 Cg_endo -75.3 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.94 119.73 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.59 157.69 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.37 76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -157.57 177.39 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.11 169.13 14.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 112.355 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 6.1 mm-40 . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.684 0.278 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -177.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.41 174.58 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.43 -174.71 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -107.84 87.5 3.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.81 140.83 43.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.545 2.164 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.6 tt -84.53 158.5 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -177.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.95 -146.57 14.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.03 -156.18 7.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm -97.55 36.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -166.19 108.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -164.53 -66.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 58.12 52.89 5.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.1 Cg_endo -76.92 -45.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.33 44.51 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -57.51 -30.65 65.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -95.98 69.24 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -105.58 17.1 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.7 -31.02 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.88 -45.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.89 -50.18 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.74 -36.24 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.774 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' CD ' HG22 ' A' ' 83' ' ' VAL . 5.1 ttpt -62.14 -49.38 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 2.6 mt-10 -74.26 -38.66 63.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.36 -49.99 75.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 110.502 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.95 -53.61 19.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.17 60.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.8 0.333 . . . . 0.0 111.218 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -41.05 97.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 36' ' ' GLU . 58.3 t80 -56.12 -56.03 25.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.53 -54.76 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -51.36 -54.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -65.11 -31.34 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -93.52 -16.24 24.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -88.27 -21.61 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.392 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -83.69 -35.21 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 111.32 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -85.43 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.61 14.58 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.84 -165.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.346 . . . . 0.0 110.983 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.71 -164.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.89 89.48 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.34 -176.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -140.12 129.39 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -78.44 149.75 33.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.623 179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 27.4 m -105.8 -38.59 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 15.5 ptm180 176.87 166.35 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG22 ' CD ' ' A' ' 59' ' ' LYS . 4.1 m -90.0 141.55 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.53 -18.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.405 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -145.6 155.78 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.32 123.94 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.012 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 158.79 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -119.25 159.45 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.26 142.93 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.6 118.84 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 m -159.57 100.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.2 m 60.35 24.41 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.23 -114.15 0.62 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.2 mmt -145.33 114.67 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.45 ' HE1' ' CG ' ' A' ' 116' ' ' TRP . 2.3 ttm -112.79 143.39 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -132.02 122.4 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.195 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -104.31 93.73 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.12 141.67 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.436 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.34 134.34 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.438 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.54 160.86 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.409 . . . . 0.0 111.292 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.28 134.32 34.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.435 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 22.1 t -124.59 148.82 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.312 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -123.4 144.8 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.747 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.38 86.67 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.56 29.31 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.361 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.95 -38.23 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -67.81 109.51 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.34 130.22 46.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -156.14 169.13 25.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.6 tp -112.56 121.72 45.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.48 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -119.2 143.46 47.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.48 139.55 31.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.413 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -131.99 131.43 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.7 ptpt -119.43 117.78 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.9 t -106.62 150.07 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.452 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.4 t90 -126.88 142.25 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -152.48 126.32 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.61 174.96 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.39 -37.22 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -84.43 -21.08 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.26 40.43 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.66 139.53 53.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.1 129.52 16.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.74 174.02 13.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.96 137.55 36.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.673 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -61.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -146.56 157.15 43.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.477 . . . . 0.0 111.278 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 70' ' ' TYR . 8.0 t80 -139.11 105.85 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.294 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.7 p -99.08 151.21 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.006 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.7 p90 -107.77 109.93 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.17 -171.65 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.71 -79.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -165.84 161.19 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.119 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.811 0.255 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 77.27 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.02 166.75 1.35 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.95 163.44 37.54 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.503 2.135 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.424 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.14 156.52 78.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.6 Cg_endo -74.35 -168.24 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.16 119.81 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.16 150.1 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -176.8 103.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -176.54 179.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.12 163.6 48.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.583 2.189 . . . . 0.0 112.293 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.671 0.272 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.12 -176.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -176.58 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.74 144.87 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -106.89 87.43 2.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -168.86 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.577 2.185 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.87 158.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.95 -149.65 21.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.2 176.58 20.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.59 75.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.092 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -177.71 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.9 153.15 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.23 52.65 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 77.6 Cg_endo -77.58 -42.7 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.564 2.176 . . . . 0.0 112.504 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 57.03 104.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.909 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -85.57 -49.39 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -74.14 64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -102.02 17.07 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -59.3 -30.45 68.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 59' ' ' LYS . . . 123.96 -46.65 1.08 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.75 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.62 -51.74 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' HA2' ' A' ' 56' ' ' GLY . 10.8 ptmt -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.18 -60.28 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.256 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.21 -40.48 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.53 -53.78 51.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.93 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -37.77 84.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -58.21 -58.95 6.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.44 47.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.6 t -51.38 -50.9 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -30.71 71.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.802 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -62.85 -44.65 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -90.39 -15.57 30.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 75' ' ' ASN . 23.9 t-20 -88.25 -22.16 24.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.689 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -85.22 -34.44 22.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.424 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.81 -43.76 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.767 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.49 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 0.0 111.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 10.0 t-20 -44.59 166.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.375 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.9 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.556 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.0 97.28 5.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.39 -177.15 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -143.92 135.81 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.17 149.53 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.4 m -103.66 -36.62 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 176.09 164.13 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.7 m -89.02 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.79 -13.68 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.63 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -148.43 156.58 42.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 0.0 111.124 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -157.97 126.96 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.29 156.99 46.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.65 143.57 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.059 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -154.74 154.79 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.799 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.5 t -105.89 124.66 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 m -160.26 96.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.704 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 15.3 m 61.42 26.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.54 -112.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.075 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.9 114.7 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.792 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.461 ' HE2' ' CG ' ' A' ' 116' ' ' TRP . 2.3 ttm -113.45 133.4 55.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.76 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 4.6 t60 -122.02 123.29 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.053 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -105.92 94.75 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.44 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 96' ' ' HIS . 0.5 OUTLIER -113.02 141.58 46.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.295 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -112.48 137.62 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.85 157.57 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.277 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.34 132.34 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.423 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 18.9 t -119.61 151.72 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -124.28 144.43 49.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.13 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.31 31.0 8.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.377 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.87 -39.22 1.95 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.18 109.51 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -105.03 137.19 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 32.5 mttt -161.07 175.59 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.13 121.51 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.703 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 4.8 m-85 -122.1 142.74 50.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.89 140.38 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.9 128.43 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.9 ptpt -116.38 116.1 27.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.67 150.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.465 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.4 t90 -125.0 143.15 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.88 124.7 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -100.2 174.65 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.1 p -115.53 -37.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.0 p90 -83.68 -21.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -25.04 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.742 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.41 42.55 8.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.1 140.22 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 127.54 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -162.76 172.77 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.251 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.58 135.1 37.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -146.11 157.17 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.129 0.49 . . . . 0.0 111.318 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.506 ' CD1' ' CE1' ' A' ' 70' ' ' TYR . 10.5 t80 -137.41 107.68 6.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.302 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.1 p -99.04 148.33 24.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.01 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 29.4 p90 -105.73 109.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.71 -170.94 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.71 83.46 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 47.14 -175.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.609 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.081 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.701 0.209 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 43.09 92.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.544 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -155.51 165.22 18.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 140.45 57.19 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.527 2.151 . . . . 0.0 112.196 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.87 155.51 36.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.15 -167.89 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.326 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.78 119.68 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.26 178.42 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -146.0 -53.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.52 -171.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.51 168.13 8.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.573 2.182 . . . . 0.0 112.344 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.7 0.286 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.3 166.28 0.77 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.583 2.189 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -175.97 -168.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -148.83 167.02 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -88.56 143.72 32.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.568 2.179 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -111.58 166.17 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.32 147.57 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.15 162.07 13.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.91 -142.86 13.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.504 HG23 HD12 ' A' ' 46' ' ' ILE . 8.0 mm -98.22 33.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -135.06 -45.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.009 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.41 126.33 24.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -137.79 51.04 3.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -60.97 -73.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.491 2.127 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 1.6 tt 60.89 79.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.76 -31.36 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -78.89 61.85 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -99.08 17.14 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.253 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -58.73 -41.45 86.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.91 -45.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -67.24 -40.18 86.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.65 -48.6 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -62.38 -40.32 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.84 -50.53 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.76 -45.38 86.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.65 -53.16 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.64 -54.33 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -36.92 83.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.12 -56.94 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.4 -54.22 48.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 44.8 t -51.32 -54.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.81 -29.81 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.98 -40.55 96.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -91.35 -20.22 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.061 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.58 -23.33 29.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -83.98 -36.09 23.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.289 . . . . 0.0 111.38 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -50.31 -45.67 54.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.528 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.52 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.544 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.64 174.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.246 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.17 -173.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.03 88.57 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.39 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.79 149.47 29.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.633 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 m -103.93 -36.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 175.31 165.17 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -88.98 141.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.297 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.64 -16.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.383 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -147.72 155.42 41.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.15 121.26 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -134.2 161.46 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -119.91 158.72 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 4.4 tt0 -152.7 160.05 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.1 t -124.2 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.323 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.0 m -160.27 96.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 58.6 m 61.97 24.15 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.71 -116.33 0.72 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.224 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.12 114.77 6.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.467 ' HE1' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -109.0 148.85 30.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -132.71 115.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.0 m-85 -99.65 94.11 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.86 141.63 47.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -112.61 136.7 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.504 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.91 160.34 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -89.33 129.74 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 21.3 t -117.96 149.06 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 0.0 111.514 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -124.57 146.74 48.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -132.46 86.65 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.4 30.9 8.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.83 -38.91 2.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -68.53 109.46 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.702 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.01 134.77 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.59 172.53 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 tp -115.35 120.46 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.617 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.6 m-85 -119.83 143.7 47.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.45 142.02 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 129' ' ' PHE . . . -134.08 132.01 39.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpp? -122.21 118.85 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 150.09 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.467 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 25.0 t90 -123.06 141.18 52.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -152.65 127.14 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -104.97 176.58 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.69 -36.2 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.412 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.8 p90 -85.51 -21.38 28.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.56 -24.21 15.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.5 49.86 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.6 137.86 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 125.12 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -162.7 172.55 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -76.98 139.92 40.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.405 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -96.19 -62.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -145.26 157.17 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.107 0.479 . . . . 0.0 111.432 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 5.7 t80 -137.97 107.66 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.16 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.4 p -98.94 151.25 21.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.45 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.3 p90 -109.27 108.58 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.28 176.26 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.71 -79.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -168.0 154.86 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.779 0.241 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -134.69 123.81 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.01 160.15 1.49 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 157.46 6.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.559 2.172 . . . . 0.0 112.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -130.22 156.48 79.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.53 -168.19 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.616 2.211 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.48 119.74 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 162.4 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -169.38 102.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.5 -179.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.62 163.99 39.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.344 0.332 0 C-N-CA 122.538 2.159 . . . . 0.0 112.335 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.716 0.293 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -176.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.37 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -134.61 -178.55 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.46 179.79 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.65 87.82 2.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.59 155.39 66.63 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.572 2.181 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.37 158.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.9 ptp -58.3 -176.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.18 -160.63 26.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.36 -133.86 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mm -98.39 30.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.26 -45.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.96 110.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.34 52.38 3.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 72.2 Cg_endo -76.72 -33.86 2.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tt 55.83 52.04 11.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -58.37 -31.4 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -80.88 61.0 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -98.73 17.15 20.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -59.33 -30.77 68.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.01 -45.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.0 -37.9 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.64 -50.2 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -59.93 -45.69 91.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.52 -39.92 80.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.72 -50.03 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -65.24 -53.85 38.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.91 -54.39 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.95 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -64.3 -58.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -55.39 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.51 -58.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.967 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -32.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.79 -45.78 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -90.53 -9.55 46.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -91.8 -26.17 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.668 0.27 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -76.75 -32.04 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -50.16 -82.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.78 24.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.79 -166.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 111.347 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.84 -27.02 60.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.383 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.96 82.54 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.001 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 HD12 ' CG1' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -109.68 -172.61 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -133.54 131.78 40.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.273 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.62 149.37 26.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 m -105.86 -37.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 176.74 164.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.9 m -90.66 143.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.94 -19.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.306 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -145.49 153.25 40.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -157.28 136.61 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.0 160.0 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.642 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -128.5 139.2 52.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 2.7 pt20 -144.61 150.56 37.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -101.65 126.23 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.384 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 m -162.82 97.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.651 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 7.8 m 61.28 25.55 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.46 -109.68 0.5 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.077 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.1 mmt -148.53 114.65 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.796 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.434 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 4.1 ttm -114.37 129.83 56.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.763 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -110.94 125.06 53.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.446 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -112.96 102.38 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.325 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.408 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -129.53 141.73 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.73 138.22 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.479 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.09 161.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 111.427 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.3 133.89 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.341 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.431 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 15.8 t -128.39 142.95 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.411 . . . . 0.0 111.618 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -119.61 150.84 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -150.19 107.26 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 55.6 29.95 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.55 -27.92 15.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 109.53 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.354 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -101.45 137.0 40.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 12.1 mttm -159.37 174.83 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.0 120.18 39.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 6.0 m-85 -120.8 141.63 50.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.124 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 144.58 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -136.79 135.87 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.288 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.446 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -124.15 121.03 34.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.99 150.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.472 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.8 t90 -123.91 143.11 50.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.87 124.64 7.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.472 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.3 mp0 -100.36 174.49 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.53 -38.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -82.56 -21.05 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -24.97 15.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.666 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.24 49.45 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.93 149.05 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.86 131.14 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.77 174.21 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.62 134.65 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.729 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.414 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -89.78 -63.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -146.5 157.22 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 111.336 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -137.1 106.55 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.25 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 15.0 p -99.01 151.26 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.416 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -111.4 110.26 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.15 -169.46 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.96 -80.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -167.61 149.53 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.109 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.784 0.243 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 61.21 94.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.97 163.72 4.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.24 179.72 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.548 2.165 . . . . 0.0 112.198 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -148.39 155.71 42.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.08 -167.68 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.704 2.27 . . . . 0.0 112.284 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.65 119.51 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.03 156.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.93 99.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -176.87 169.4 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.17 162.08 56.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.151 . . . . 0.0 112.347 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.693 0.283 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.66 -167.65 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.49 2.127 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -167.33 -168.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.54 -174.61 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -111.56 98.02 38.99 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 174.44 8.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.452 2.101 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 43' ' ' MET . 9.0 tp -109.88 155.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.403 ' N ' HG13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -54.12 145.68 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.26 -146.18 4.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.36 -141.35 4.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.82 31.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.11 111.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.44 -166.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.94 64.21 33.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 37.2 Cg_exo -61.21 -19.85 65.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.721 2.281 . . . . 0.0 112.421 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -94.39 78.8 3.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -92.48 17.15 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.44 -30.85 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.82 -51.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -59.25 -44.95 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.16 -54.82 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -56.82 -45.74 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.75 -40.87 88.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.11 -50.03 74.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -51.97 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.19 -54.37 44.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' NH2' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.58 -34.98 76.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.94 -54.15 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HA ' ' CE2' ' A' ' 129' ' ' PHE . 48.2 t -51.33 -54.14 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 12.9 ttm180 -65.23 -31.76 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.15 -43.02 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -92.39 -15.91 26.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.05 -18.9 26.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.468 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -86.99 -34.49 19.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 111.307 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.484 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.31 14.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.82 -166.39 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.331 . . . . 0.0 110.955 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.03 -162.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.9 88.86 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 -178.01 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.6 128.74 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.19 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.52 149.52 38.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.0 m -105.13 -36.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 175.85 164.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -92.0 144.57 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.478 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.23 -15.31 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -147.0 154.01 40.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.42 129.0 10.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.1 159.64 41.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -139.83 136.24 33.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.237 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -136.64 160.02 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.39 122.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.42 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 m -159.39 97.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.408 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 33.5 m 60.82 27.0 16.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.684 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.57 -111.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.123 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.7 mmt -146.99 114.67 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.478 ' HE2' ' CG ' ' A' ' 116' ' ' TRP . 2.2 ttm -111.82 146.66 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -135.56 119.93 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.183 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.2 m-85 -103.36 103.87 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.401 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.68 141.63 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.46 129.99 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.9 160.82 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.31 131.72 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.423 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 15.5 t -119.75 151.35 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 111.349 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.11 143.88 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.782 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -143.38 105.55 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.97 29.71 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.273 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.3 -27.3 17.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.573 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -67.94 109.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -96.71 133.09 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.5 mttp -156.41 173.0 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp -114.83 118.93 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.68 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 8.8 m-85 -119.24 146.73 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 146.72 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.754 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -138.24 134.91 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.4 ptpt -117.49 118.3 31.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.929 0.395 . . . . 0.0 110.983 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.2 t -106.5 150.13 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.478 ' CG ' ' HE2' ' A' ' 95' ' ' MET . 26.6 t90 -128.79 142.26 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.037 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -151.68 125.92 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.2 mp0 -100.37 174.65 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.7 p -114.76 -37.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -82.96 -21.17 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 tpp -97.52 -25.36 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.27 40.31 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.04 143.9 51.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 129.24 14.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -162.72 175.11 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -85.85 139.26 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -97.83 -55.69 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.257 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.78 154.97 42.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.29 0.567 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.497 ' CD1' ' CZ ' ' A' ' 70' ' ' TYR . 4.1 t80 -135.92 108.53 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.995 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.4 p -98.97 151.48 20.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.6 p90 -112.23 110.3 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.76 -175.47 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.53 -68.47 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -176.71 161.82 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.08 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.786 0.327 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.1 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.34 80.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.7 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -139.4 54.3 5.79 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.65 -28.48 20.93 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.546 2.164 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -139.29 104.19 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -173.99 164.65 2.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.29 179.85 2.69 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.578 2.186 . . . . 0.0 112.275 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.414 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.47 156.36 77.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.93 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.607 2.205 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.39 124.08 51.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.68 -179.27 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.07 -68.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -177.29 -174.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.81 163.86 16.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.78 -178.23 3.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.79 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.45 -176.57 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 60.33 93.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.07 161.49 29.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -102.95 -177.21 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -75.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.15 -178.44 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.31 146.87 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.77 176.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -131.98 102.97 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.83 -72.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -140.88 159.97 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -100.62 135.76 41.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.18 -178.31 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -131.86 127.6 36.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.61 31.52 20.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t0 60.32 -170.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 60.66 177.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -137.59 88.03 16.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.71 168.99 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -174.93 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.27 175.53 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -105.72 87.47 2.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.51 164.91 32.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.549 2.166 . . . . 0.0 112.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.89 158.51 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 164.08 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.18 141.98 3.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.04 -167.58 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.98 62.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -177.57 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.31 111.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -176.12 69.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 -25.29 59.12 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.239 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.41 80.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.44 -36.81 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.36 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -93.91 17.36 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.39 -30.66 66.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 59' ' ' LYS . . . 133.87 -42.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.654 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -63.61 -54.65 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.045 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.3 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' HA2' ' A' ' 56' ' ' GLY . 4.5 pttt -56.31 -40.58 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.95 -45.32 86.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.46 -46.62 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.93 -53.02 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.95 -54.36 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.03 -37.21 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.16 -54.83 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.78 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.65 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 42.0 t -52.9 -54.98 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -64.04 -29.74 70.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.24 -43.15 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.18 -19.09 25.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -84.82 -25.62 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.63 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.92 -35.64 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.244 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.12 -43.16 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.441 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.75 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.84 169.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.347 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.53 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.74 89.37 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.3 132.95 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -82.68 149.48 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -103.8 -37.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 174.8 165.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.5 m -88.29 144.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.34 -13.48 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.638 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -147.9 151.04 35.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.911 0.386 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.61 129.71 16.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 151.99 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -112.02 151.4 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.28 145.71 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.76 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.96 120.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 m -161.29 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.002 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 42.3 m 59.11 28.19 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.92 -111.71 0.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.305 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.68 114.61 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.007 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.445 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.7 ttm -112.91 131.05 55.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -116.03 118.81 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 111.25 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.437 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -103.39 101.35 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -122.49 141.55 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.02 139.31 41.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.435 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.49 160.86 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -89.41 133.51 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.394 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.6 t -124.0 148.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.94 0.4 . . . . 0.0 111.458 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -126.67 147.8 49.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.744 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -151.37 108.41 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.02 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.96 29.53 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.14 -27.51 16.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 109.53 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -104.28 136.43 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -160.35 175.62 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.5 tp -115.01 121.24 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 5.5 m-85 -121.55 141.28 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.06 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.41 145.45 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -136.1 131.09 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.6 ptpt -116.26 115.64 26.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.59 150.15 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.161 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.467 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 27.6 t90 -125.85 141.51 51.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.14 126.42 9.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.467 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.5 mp0 -99.93 174.28 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.995 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -116.39 -38.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -82.54 -21.08 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 ttt -97.64 -25.33 15.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.706 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 52.08 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.17 150.42 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.8 132.65 12.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.76 175.28 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 tt -87.9 135.04 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 4.3 mp0 -93.68 -58.01 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -145.76 156.73 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 111.686 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 9.9 t80 -137.86 109.23 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.181 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.97 151.25 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.065 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.425 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.9 p90 -111.47 110.06 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.43 -170.09 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.65 -78.87 0.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -167.03 149.57 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.095 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.33 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 60.51 41.42 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.71 -76.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -157.46 53.51 0.69 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.8 136.86 23.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.584 2.189 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 107.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 154.7 1.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 168.49 21.42 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.565 2.176 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.33 156.55 79.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.27 -168.24 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.79 -169.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.12 -174.7 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.18 -177.42 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.44 -176.84 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.67 160.12 39.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 96.65 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.59 -34.17 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -68.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.98 147.69 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.46 148.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -86.34 -42.41 13.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.46 110.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -148.23 151.91 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -132.92 147.57 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.82 -52.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.89 174.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.07 62.95 0.33 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 57' ' ' PHE . 4.0 mm? -106.24 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -176.48 102.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -106.71 178.99 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -131.9 125.47 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 60.27 177.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.03 112.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -67.69 74.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 58.85 80.65 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.27 145.18 59.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.609 2.206 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 144.14 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.69 -169.3 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -138.41 87.52 15.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 167.39 25.17 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.555 2.17 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.38 158.47 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -179.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.8 166.7 24.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.16 -165.4 27.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.1 mm -81.32 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -170.16 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.99 132.12 53.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.22 52.55 3.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.5 Cg_endo -59.15 -73.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.519 2.146 . . . . 0.0 112.343 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt 58.69 56.29 4.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -59.42 -29.46 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -84.37 57.71 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -100.12 17.26 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.35 -29.58 66.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.89 -52.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.593 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 29' ' ' LEU . 81.3 m-85 -60.23 -43.16 96.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -69.72 -53.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -58.15 -45.58 87.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.23 -46.57 83.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.52 -42.47 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.45 -53.75 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -54.34 45.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -37.94 80.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -58.93 -61.93 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.76 -54.08 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 46.8 t -51.31 -51.93 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -28.67 68.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.03 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.768 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -88.79 -19.22 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -84.81 -25.91 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.85 -35.15 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -51.69 -43.49 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.84 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.747 0.308 . . . . 0.0 111.373 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 168.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.402 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.21 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.307 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.17 86.36 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.47 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -137.96 133.3 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.241 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.99 149.61 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.626 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 m -103.76 -37.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 174.38 165.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 m -89.63 142.06 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.238 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.86 -15.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.451 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -148.22 151.69 35.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -152.96 137.47 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.1 153.47 35.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.9 152.04 25.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 7.3 mt-30 -148.42 154.06 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.718 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.16 116.79 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.274 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 m -160.0 101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 48.5 m 60.85 25.77 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.93 -112.61 0.57 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.223 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -144.89 114.72 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.463 ' HE3' ' CG ' ' A' ' 116' ' ' TRP . 2.4 ttm -113.9 128.24 56.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.663 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -114.34 123.21 48.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.125 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 5.1 m-85 -110.0 108.96 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -131.73 141.69 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 0.0 111.199 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -107.7 135.32 49.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -136.55 159.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 111.325 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.35 135.99 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.42 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 16.2 t -126.81 150.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -126.68 147.58 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.753 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -145.99 106.8 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.039 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.01 29.82 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.64 -27.8 15.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -70.38 109.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -99.02 139.86 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 16.3 mttm -161.51 173.05 15.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.6 tp -114.61 120.67 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.2 m-85 -120.78 146.72 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.59 143.46 30.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -133.97 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.9 ptpt -123.73 117.41 24.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.72 150.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.468 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.4 t90 -127.21 144.38 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -154.54 124.65 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.468 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.9 mp0 -99.77 175.31 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.54 -37.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.411 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -83.57 -20.88 32.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.41 -24.97 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 110.704 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.49 42.1 9.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.21 139.38 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.21 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -162.79 175.31 11.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.95 137.58 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -61.01 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -146.02 157.19 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 111.378 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.509 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 5.8 t80 -138.63 106.89 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.267 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.06 151.22 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -108.63 109.73 21.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.52 -179.42 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.03 -72.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.51 160.23 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.116 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.841 0.353 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.71 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 60.49 80.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.86 -75.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 54.36 13.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.62 -28.04 21.61 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.565 2.177 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -129.11 100.33 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -176.16 165.46 1.75 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 179.84 2.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.616 2.211 . . . . 0.0 112.242 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG21 ' CZ3' ' A' ' 116' ' ' TRP . 4.4 m -133.39 156.04 80.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.89 -167.97 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.775 2.316 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.5 119.32 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.51 171.8 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -177.59 98.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.53 179.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 168.32 17.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.53 -178.22 3.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 90.41 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.17 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.92 -176.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.88 -169.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -127.17 -45.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.64 -169.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.72 -176.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.44 87.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.75 -43.06 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -149.83 161.91 41.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.22 56.01 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -108.09 129.47 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -143.85 106.2 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 HD21 ' CD2' ' A' ' 57' ' ' PHE . 0.3 OUTLIER -128.47 141.51 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.61 97.59 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -121.36 -74.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -152.29 -50.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.91 75.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.55 82.38 0.23 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 177.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.523 2.149 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.5 -174.53 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.72 169.54 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -105.46 87.9 2.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.35 166.0 28.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.535 2.157 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.93 158.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.16 173.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.82 144.57 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.24 -164.76 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.5 mm -77.68 69.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -177.5 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -74.47 109.49 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -175.45 63.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.98 -25.99 23.75 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.185 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 59.67 63.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.69 -29.31 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -83.99 58.19 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.37 17.21 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.41 -30.8 67.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.08 -47.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.553 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.447 ' CD2' ' CD1' ' A' ' 29' ' ' LEU . 78.4 m-85 -65.95 -40.45 91.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.03 -50.83 37.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -59.51 -42.23 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.85 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -57.28 -45.24 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.15 -52.94 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -54.31 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -35.27 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.25 -58.49 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.83 53.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 46.0 t -51.4 -51.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -28.04 67.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.63 -41.85 92.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.8 -19.18 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -84.86 -27.06 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.519 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.88 -36.04 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -51.44 -42.95 61.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.372 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.69 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.339 . . . . 0.0 111.227 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.26 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.272 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.75 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.72 44.21 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.042 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.89 -178.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.88 134.01 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.313 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.62 149.46 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.695 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.0 m -104.54 -37.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 176.24 164.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.28 142.35 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.23 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -118.49 -15.14 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.678 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -148.04 156.01 42.14 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.938 0.399 . . . . 0.0 111.255 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.2 130.53 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 155.39 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -116.94 157.37 25.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.19 149.49 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.734 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.0 t -111.62 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.32 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m -160.31 100.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.9 m 60.81 25.13 15.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.15 -112.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -145.46 114.71 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.418 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 2.8 ttm -111.29 145.59 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.433 ' CD2' ' HB ' ' A' ' 115' ' ' VAL . 0.4 OUTLIER -138.06 118.45 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 3.8 m-85 -101.45 103.82 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.414 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.05 141.64 47.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 1.2 m -111.56 132.91 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.432 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.92 161.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 111.331 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.34 133.67 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.464 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t -123.88 151.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.473 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -126.67 143.82 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.754 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -143.56 104.02 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.18 29.68 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.36 -27.02 18.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.568 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -69.18 109.52 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -98.0 133.32 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 20.2 mtpt -156.55 171.0 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.7 tp -113.19 119.88 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.555 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.3 m-85 -120.08 145.16 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.8 OUTLIER -99.15 146.01 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -134.86 130.24 35.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 5.2 ptpt -113.33 114.47 26.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.433 ' HB ' ' CD2' ' A' ' 96' ' ' HIS . 13.2 t -106.67 150.07 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.464 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.7 t90 -125.81 142.09 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.75 124.19 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.464 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.4 mp0 -99.21 174.3 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.03 -37.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.33 -20.37 34.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -24.47 15.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.17 48.92 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.89 148.45 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.81 128.5 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.79 173.23 14.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 tt -87.15 136.55 32.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.698 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -93.83 -55.09 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.249 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -145.32 157.01 44.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 0.0 111.705 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.504 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.8 t80 -136.42 109.54 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.4 p -98.98 151.29 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 111.059 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 23.6 p90 -111.23 110.28 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.4 mt -87.81 -169.97 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.0 -68.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -176.62 160.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.082 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 tpp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.836 0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.97 -42.91 56.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.62 -176.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 61.06 34.15 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.402 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 3.5 mt-30 178.55 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 5' ' ' GLN . 53.6 Cg_exo -52.38 140.93 52.17 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.475 2.117 . . . . 0.0 112.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.14 99.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -170.21 160.55 6.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 135.32 30.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.572 2.181 . . . . 0.0 112.291 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -108.87 156.49 38.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.2 Cg_endo -74.53 -168.21 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.609 2.206 . . . . 0.0 112.372 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.69 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 169.66 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.83 93.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -168.84 158.0 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.87 156.99 79.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.0 -178.37 2.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.524 2.149 . . . . 0.0 112.299 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -171.11 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.61 78.09 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -152.39 163.7 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -176.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -131.48 84.59 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.67 143.72 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.32 135.62 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.03 79.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -143.96 -69.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -158.79 -179.02 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.3 103.56 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD13 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -138.86 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m80 60.12 -177.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -161.99 -65.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.13 109.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -171.56 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -176.69 -40.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -169.85 157.65 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.24 109.39 1.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.17 -167.63 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.435 2.09 . . . . 0.0 112.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.02 -167.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -148.3 -178.5 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -132.43 90.95 32.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.61 166.84 24.54 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -66.77 158.96 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.93 118.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.71 -156.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.53 76.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -171.16 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.5 110.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -136.64 50.49 3.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 82.4 Cg_endo -77.59 -30.89 3.64 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.113 . . . . 0.0 112.255 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.9 tp 56.73 96.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -85.1 -21.33 29.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -94.65 43.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -93.76 17.05 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -65.19 -51.29 61.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.03 -54.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' CG ' HD13 ' A' ' 29' ' ' LEU . 40.6 m-85 -67.52 -42.9 82.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.81 -48.09 60.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -59.89 -41.9 92.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.86 -44.26 77.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.4 -45.31 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.9 tp -65.87 -53.15 43.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.99 -54.31 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -37.03 84.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.47 -56.42 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.94 -54.51 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.051 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 41.8 t -51.79 -55.04 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -64.4 -29.35 70.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.57 -42.36 95.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.62 -19.26 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.65 -25.67 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.605 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.95 -35.49 25.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 111.243 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -51.58 -43.47 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.435 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.36 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.91 170.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.347 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.82 87.13 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.5 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -138.55 134.87 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.84 149.5 27.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 m -103.38 -36.87 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 175.52 164.66 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -90.43 141.28 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.33 -19.53 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.346 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -145.4 153.64 41.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.15 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 151.58 48.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 96' ' ' HIS . 11.6 mp0 -110.5 150.61 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 10.6 tt0 -155.06 153.56 31.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.74 121.47 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.1 m -159.36 98.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.404 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 28.9 t 60.26 27.63 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.32 -113.11 0.58 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.4 mmt -143.99 114.72 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.42 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 2.7 ttm -112.75 146.59 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.749 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.422 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 3.8 t-160 -138.0 120.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -105.26 101.74 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.23 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 96' ' ' HIS . 2.0 pt? -118.5 141.58 48.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.365 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 1.9 m -109.04 129.36 55.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.32 160.39 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 111.349 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.34 134.25 34.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.9 t -123.37 151.14 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 0.0 111.505 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -129.95 149.96 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -154.55 110.03 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.72 29.62 9.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.315 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.0 -27.73 16.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -70.3 109.51 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -106.28 141.13 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 33.4 mttt -163.58 175.86 10.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 tp -114.2 120.09 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.615 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.6 m-85 -121.56 146.65 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.444 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.1 OUTLIER -100.01 144.19 29.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.429 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -134.48 132.66 39.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.207 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 4.4 ptpt -115.68 115.25 26.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.59 150.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.274 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.457 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.7 t90 -125.97 142.77 51.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -152.01 122.06 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.7 mp0 -98.29 174.09 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.52 -37.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.404 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.27 -20.75 33.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -25.01 15.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.36 45.93 6.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.09 139.23 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 126.03 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -162.71 173.4 13.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tt -87.25 139.92 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.666 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -97.37 -54.34 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.224 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -145.52 155.98 43.42 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.296 0.57 . . . . 0.0 111.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.504 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 9.5 t80 -137.42 107.83 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 12.1 p -98.9 151.27 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p90 -109.69 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.5 mt -88.08 -169.6 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.99 -71.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -176.9 160.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.101 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.819 0.343 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.02 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.38 30.79 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.43 -50.44 45.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.786 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -73.6 -60.23 1.7 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.77 -174.42 1.3 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 39.59 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -140.36 162.44 49.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -179.9 3.28 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -127.51 156.69 74.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.3 Cg_endo -74.35 -168.21 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.84 -169.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.17 171.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.87 -176.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.77 -174.42 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.52 155.12 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.07 174.26 10.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.578 2.185 . . . . 0.0 112.276 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.49 82.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.27 -62.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 60.62 173.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.24 110.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 60.34 103.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.54 36.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -131.65 151.41 51.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -131.82 -58.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -74.8 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 61.15 112.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.75 -67.44 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 57' ' ' PHE . 3.9 mm? -133.14 -178.63 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -67.64 114.52 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -134.55 -175.54 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.89 79.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -172.96 -41.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.9 31.12 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 60.22 38.7 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 60.48 87.53 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 172.18 13.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.582 2.188 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.75 162.55 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 -171.95 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 2.7 m-70 -106.13 145.65 31.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.48 -170.38 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 tt -115.75 158.66 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.44 149.36 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.18 166.58 22.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.88 -155.41 31.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.89 75.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -177.31 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.07 127.56 32.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -142.72 52.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 75.9 Cg_endo -77.49 -33.39 2.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.553 2.168 . . . . 0.0 112.409 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 2.3 tt 56.88 76.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.84 -56.17 25.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.06 67.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -105.63 17.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -58.81 -30.87 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.61 -49.95 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 29' ' ' LEU . 85.4 m-85 -64.79 -37.49 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.01 -50.65 39.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -60.24 -38.42 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.95 -56.01 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.55 -42.14 87.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.78 -53.58 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.87 -54.28 46.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.57 -37.11 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -58.6 -59.09 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.52 -53.5 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 48.5 t -51.31 -50.98 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -28.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.7 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -41.63 96.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -90.34 -20.06 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -84.94 -23.8 28.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.41 -35.63 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.393 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.82 -45.67 59.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.85 -32.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.593 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.15 173.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.239 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.59 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.79 80.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -176.88 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -138.98 140.58 38.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -85.33 149.44 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 28.2 m -104.18 -38.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 9.3 ptm180 178.13 165.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.817 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -90.53 143.83 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -117.85 -17.56 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -146.33 156.13 43.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.188 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.72 125.76 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 148.51 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -116.8 127.47 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.409 ' OE1' ' CD1' ' A' ' 97' ' ' TYR . 13.8 mt-30 -136.62 153.51 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.06 122.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -161.01 99.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.403 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.3 m 60.66 25.52 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.772 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.71 -112.37 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.186 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -145.26 114.67 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.419 ' HE3' ' CG ' ' A' ' 116' ' ' TRP . 5.8 ttm -117.94 129.79 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -118.23 120.04 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.242 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -99.07 94.43 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.65 141.59 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.7 m -113.32 135.17 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.284 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.68 161.47 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.38 134.13 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 13.9 t -123.6 154.6 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -130.92 146.36 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.773 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -145.62 106.82 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.04 29.72 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.267 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.56 -27.7 15.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -69.79 109.55 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -99.26 140.41 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 mttt -162.21 173.41 14.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.7 tp -114.15 119.77 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.8 m-85 -120.39 143.03 48.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.01 144.72 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 129' ' ' PHE . . . -137.12 130.16 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.2 ptpt -119.43 117.76 29.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.67 150.11 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.254 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.457 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 23.5 t90 -125.49 143.32 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -153.28 123.71 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.75 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.6 mp0 -100.26 174.45 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.38 -37.84 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.7 p90 -82.56 -21.17 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.61 -25.04 15.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.69 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.35 45.08 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -132.45 140.52 48.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.401 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -146.55 127.4 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -162.7 173.78 13.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tt -77.99 139.9 39.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.74 -60.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -146.23 157.13 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.322 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.498 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 5.9 t80 -137.67 109.98 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.233 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.8 p -98.95 150.84 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.114 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 17.0 p90 -109.74 105.85 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.9 mt -88.54 175.08 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.73 -74.8 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -173.55 158.84 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.066 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.828 0.347 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.72 -30.96 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.25 -22.9 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 62.78 95.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 2.4 mm-40 -178.47 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 5' ' ' GLN . 55.3 Cg_endo -69.93 161.33 46.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.473 2.115 . . . . 0.0 112.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tttp 61.32 86.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -176.8 158.29 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.21 -179.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.579 2.186 . . . . 0.0 112.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -141.56 156.34 66.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.6 Cg_endo -74.8 -168.1 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.47 119.57 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.92 156.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.96 83.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.75 148.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.48 158.58 35.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.93 139.94 34.06 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.533 2.156 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.43 -176.35 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.22 -179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.81 176.2 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.3 109.29 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.33 109.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.84 161.58 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -134.97 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -105.4 -46.79 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -160.33 88.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.49 160.87 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.49 -36.28 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD12 ' CE2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -94.27 133.35 37.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -78.76 -176.36 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.32 -168.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 61.84 79.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -138.19 -68.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.78 -30.63 26.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -169.32 145.53 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -105.67 87.73 2.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 170.1 17.32 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.55 2.167 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -176.53 153.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -88.08 149.34 45.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -168.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.561 2.174 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -121.06 134.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 ptp 45.58 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.352 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -145.02 167.31 27.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.22 131.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.3 mm -96.01 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.91 31.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -123.29 -67.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 56.43 52.96 7.14 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -76.68 -44.95 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.394 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 6.1 tt 52.01 73.02 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -59.67 -54.54 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.16 73.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -105.61 17.13 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -59.0 -30.71 68.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.4 -46.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CE2' HD12 ' A' ' 29' ' ' LEU . 27.2 m-85 -66.5 -35.06 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.77 -50.35 25.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -60.42 -41.27 93.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.26 -44.55 68.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.42 -45.66 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.46 -53.19 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.27 24.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.83 -38.84 92.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.719 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.54 -53.57 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.27 -54.15 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 44.3 t -52.54 -52.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -66.46 -28.71 68.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.83 -42.51 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -89.28 -18.8 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -85.51 -26.59 26.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.563 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -81.31 -35.61 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.243 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -42.13 60.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.17 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.299 . . . . 0.0 111.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.06 169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.52 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 88.75 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 -176.41 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -138.83 133.17 31.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.46 149.51 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.1 -36.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 175.47 164.78 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -89.86 141.46 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.261 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.23 -14.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.487 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -147.68 155.88 42.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.48 127.42 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -135.14 158.72 43.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.92 150.39 43.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -156.47 149.67 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.2 t -110.69 122.62 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -160.23 97.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.4 m 60.5 27.24 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.27 -112.1 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.267 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -147.82 114.73 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.434 ' HE1' ' CD1' ' A' ' 116' ' ' TRP . 7.2 ttm -114.95 141.72 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.22 127.61 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.163 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -108.65 95.72 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.51 141.72 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.405 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.61 135.23 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.392 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.17 158.49 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.329 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -89.34 132.74 34.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 21.8 t -119.3 151.74 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.987 0.422 . . . . 0.0 111.534 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.44 146.94 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.586 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -137.75 86.66 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.57 31.44 7.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.424 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.67 -39.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.36 109.42 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -107.88 140.35 41.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 13.9 mttp -165.24 176.09 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.94 121.76 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.1 m-85 -121.78 142.67 49.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.13 141.15 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -132.89 130.05 39.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -118.25 118.02 30.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.71 150.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.6 t90 -126.58 141.84 51.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.45 126.02 9.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.752 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.89 175.12 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.75 -37.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -83.87 -21.2 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -25.2 15.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.21 41.89 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.07 140.98 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 130.32 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -162.68 173.92 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.274 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -80.9 133.76 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.663 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -63.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -146.55 157.21 43.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.149 0.499 . . . . 0.0 111.344 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.513 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 11.4 t80 -135.82 107.45 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.302 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.8 p -98.94 150.02 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.025 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 34.5 p90 -106.41 111.1 23.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.89 -169.87 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -103.57 83.3 0.41 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 47.29 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.059 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.83 0.347 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.12 -29.85 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 61.71 30.16 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -72.1 -48.48 43.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -73.11 -60.21 1.88 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.02 170.57 18.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.483 2.122 . . . . 0.0 112.294 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.94 79.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 149.43 0.85 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.94 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG22 ' CE3' ' A' ' 116' ' ' TRP . 4.4 m -148.78 156.57 41.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.9 Cg_endo -74.36 -168.16 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.6 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.12 150.57 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -176.85 102.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.63 167.99 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.55 154.16 81.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.41 113.76 3.72 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.555 2.17 . . . . 0.0 112.313 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.34 -171.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.0 -75.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -106.22 136.58 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.1 115.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -106.0 -37.66 6.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.92 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.12 117.9 20.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -156.54 -67.35 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -178.6 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.19 113.66 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.09 -98.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 57' ' ' PHE . 4.3 mm? -105.02 171.86 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.81 158.32 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tp -176.56 157.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.41 -32.23 71.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 60.57 -179.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -175.22 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -171.11 35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 60.13 83.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.0 -176.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -174.38 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.85 -179.6 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -128.65 88.35 52.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 96' ' ' HIS . 55.0 Cg_endo -69.78 160.59 49.14 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.567 2.178 . . . . 0.0 112.312 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 tp -92.9 154.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -177.71 20.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.72 -172.15 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -81.62 78.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -177.55 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.74 146.42 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -163.11 52.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.4 Cg_endo -77.23 -32.21 3.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.9 OUTLIER 57.28 89.34 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -79.59 -30.96 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -86.66 66.22 9.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.8 17.09 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -62.4 -31.28 71.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.67 -49.74 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CE1' HD11 ' A' ' 29' ' ' LEU . 32.4 m-85 -68.4 -37.18 80.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.61 -46.33 54.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.53 -41.79 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.02 -49.21 59.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -57.21 -43.45 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.71 -52.97 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.74 -54.38 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -36.35 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.74 -57.33 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.12 -54.1 48.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 46.7 t -51.36 -53.2 16.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -66.95 -29.21 69.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.1 p90 -91.4 -20.1 22.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -84.92 -23.01 29.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.701 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.98 -35.95 23.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.334 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -50.63 -46.03 58.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.49 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.87 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.507 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.02 173.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.897 0.38 . . . . 0.0 111.274 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.08 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.208 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.09 86.45 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.78 -177.49 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -138.61 133.09 32.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.8 149.52 29.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 m -104.18 -36.61 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.006 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 176.63 163.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.34 141.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.345 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.2 p -115.84 -17.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -147.06 156.72 43.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -162.02 122.59 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.39 154.36 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -125.14 150.24 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -157.46 160.04 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.52 123.5 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.395 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.5 m -158.94 95.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 14.1 m 61.25 26.73 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.12 -111.69 0.55 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.092 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.2 mmt -146.31 114.72 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.432 ' HE1' ' CG ' ' A' ' 116' ' ' TRP . 1.7 ttt -111.96 146.14 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.764 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 41' ' ' PRO . 8.8 t60 -138.0 117.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.4 m-85 -102.53 103.91 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -117.36 141.69 48.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.997 0.427 . . . . 0.0 111.526 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -111.68 129.79 55.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.321 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.13 161.15 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -89.31 130.67 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.423 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.427 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 17.2 t -120.5 149.59 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -127.57 144.96 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.649 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.38 109.68 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.01 29.41 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.8 15.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -67.57 109.5 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.88 132.11 47.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -158.12 173.56 16.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.153 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.0 tp -114.87 121.39 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.599 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -120.84 147.43 45.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.9 OUTLIER -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -134.31 131.45 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 6.9 ptpt -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.63 150.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.257 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.3 t90 -125.62 142.79 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 121.19 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.84 174.04 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.76 -38.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -82.55 -21.25 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -25.2 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 46.53 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -132.42 137.97 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.44 125.26 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.404 ' OE1' ' CE1' ' A' ' 123' ' ' PHE . 1.9 pt20 -162.71 174.95 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 tt -87.55 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -94.21 -59.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -141.62 157.17 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.23 0.538 . . . . 0.0 111.758 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.497 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 8.1 t80 -136.81 109.1 7.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.086 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -98.97 151.28 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.073 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.432 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 31.2 p90 -111.1 110.98 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.33 -170.17 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.32 -68.01 1.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -176.08 161.23 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.08 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.799 0.333 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.29 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.24 106.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -160.53 68.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.9 mm100 59.37 53.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 57.6 Cg_endo -71.27 -45.41 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.586 2.191 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -116.81 106.21 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -174.45 150.52 1.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.86 179.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -140.67 155.82 69.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.7 -167.99 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.59 119.7 12.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.56 161.5 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.66 177.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 72.99 86.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.53 167.68 0.94 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.196 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.56 170.49 18.43 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.179 . . . . 0.0 112.326 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.26 99.47 9.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.06 109.19 20.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.38 -37.58 85.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.41 136.31 27.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.9 154.24 47.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.58 -169.94 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -137.44 133.33 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -148.08 -56.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -60.39 134.09 56.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 60.33 170.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.67 28.4 15.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -105.71 -172.92 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -168.05 -174.69 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 2.8 tp -158.6 147.21 18.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.48 157.77 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -65.63 79.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -161.5 -175.38 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -176.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -102.96 91.91 3.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 155.29 70.82 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.464 2.109 . . . . 0.0 112.302 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -174.28 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.42 178.6 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -112.99 88.51 12.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.3 170.68 15.46 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.545 2.163 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -114.94 158.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -176.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.97 138.3 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -163.89 0.12 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' NE2' ' A' ' 89' ' ' GLN . 16.9 mm -87.88 53.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -174.12 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.69 118.98 5.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.73 63.27 0.87 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.25 -27.52 38.6 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.462 2.108 . . . . 0.0 112.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 57.67 69.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.54 -31.98 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.2 52.58 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.19 17.17 13.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -58.49 -30.46 67.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.04 -44.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 31' ' ' LEU . 3.0 t80 -65.58 -43.35 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -67.63 -52.32 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -57.7 -41.72 82.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.54 -43.87 79.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.78 -45.72 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.26 -53.59 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -54.3 31.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.23 -38.48 89.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.677 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.82 -57.29 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.14 -53.94 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.431 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 47.4 t -51.44 -51.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -67.02 -28.22 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -42.61 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.08 -19.17 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.09 -26.08 27.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.627 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.24 -35.24 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.236 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -51.76 -43.28 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.415 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.63 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.376 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.41 169.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.05 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.97 90.47 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.56 -176.21 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.701 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.17 133.01 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -83.24 149.46 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 30.3 m -104.69 -35.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.265 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER 174.45 163.72 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 m -88.33 141.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.38 -13.87 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.569 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -148.12 156.86 43.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -157.59 130.63 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.97 149.99 47.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -112.5 133.81 54.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 97' ' ' TYR . 1.2 mt-30 -134.29 157.93 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.06 118.05 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 m -159.94 102.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 49.2 m 58.91 23.62 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.84 -115.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.179 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.3 mmt -144.82 114.69 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.441 ' HE1' ' CD1' ' A' ' 116' ' ' TRP . 2.7 ttm -112.04 143.44 43.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.24 116.89 18.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.224 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.458 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.76 97.32 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.408 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.81 141.62 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 138.27 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.354 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.07 156.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -89.41 124.75 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.3 t -113.91 152.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.592 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -125.32 145.34 50.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -131.01 86.65 2.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.84 29.51 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.02 -38.29 2.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.85 109.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -99.96 139.33 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -163.87 174.02 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.9 tp -116.97 121.55 41.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.667 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.4 m-85 -120.59 144.08 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 137.12 34.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -128.34 126.97 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 7.0 ptpt -115.22 116.14 27.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.864 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.7 p -106.59 150.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.466 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.8 t90 -126.15 141.71 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.08 129.08 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.466 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -105.35 176.71 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.1 -36.57 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.0 p90 -84.22 -21.97 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -24.73 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.723 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.61 41.74 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -128.05 138.13 52.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 127.45 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -162.71 171.82 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 tt -78.51 136.56 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.748 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.406 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -91.67 -61.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.38 157.23 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.099 0.476 . . . . 0.0 111.418 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 10.3 t80 -137.93 105.82 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.262 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.2 p -99.06 150.88 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 36.7 p90 -106.09 111.23 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.51 -170.66 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.68 82.96 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 47.27 -175.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.966 0.413 . . . . 0.0 111.595 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.1 -179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.814 0.34 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.98 -55.45 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -72.2 -25.11 61.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 59.76 30.77 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mt-30 -87.46 -52.8 0.4 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 60.4 Cg_exo -51.55 163.9 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.485 2.123 . . . . 0.0 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tttp 60.65 84.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 149.2 0.87 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 177.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -148.87 156.59 40.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.8 Cg_endo -74.46 -168.17 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.188 . . . . 0.0 112.367 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.85 119.71 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.24 167.28 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -176.75 100.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -176.51 166.67 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.09 160.42 68.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 123.22 9.65 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.548 2.165 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.09 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.02 110.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -162.06 119.96 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.41 159.03 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.88 -65.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.28 150.31 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.77 133.41 35.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -149.67 -69.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -104.33 126.11 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -105.36 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.7 172.76 48.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.54 -51.79 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -175.24 83.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.65 142.72 41.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -74.87 176.84 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 81.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -143.56 -176.72 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -65.11 -178.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -106.98 80.07 0.75 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 172.46 12.84 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.559 2.173 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.55 165.23 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.76 -175.24 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 2.8 m-70 -102.08 148.93 36.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.97 -174.92 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.585 2.19 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.16 158.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 129.0 39.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.8 -161.67 27.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.24 -176.12 14.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mm -75.38 79.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.23 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.27 -177.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.88 64.99 0.34 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.35 -65.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 54.93 53.92 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -58.14 -30.71 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -83.87 58.37 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.61 17.14 18.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -58.52 -30.97 67.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.37 -49.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.79 -40.69 88.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -69.05 -49.43 57.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -60.5 -40.99 93.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -65.77 -50.25 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.55 -43.47 89.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -53.62 53.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.2 -54.35 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -35.71 77.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.61 -58.17 9.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.761 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.42 -54.62 44.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.4 t -52.11 -55.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -63.59 -29.25 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -64.94 -43.06 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -89.55 -15.51 32.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -86.48 -33.6 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.432 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.93 -35.94 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.303 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -43.64 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.448 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.87 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.23 171.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.12 -168.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.327 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.07 40.49 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 171.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -136.89 132.48 34.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.92 149.44 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.733 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 m -104.31 -37.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 176.85 164.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 142.35 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.3 p -118.17 -14.98 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.564 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -147.96 156.32 42.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.893 0.378 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.04 130.1 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.035 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 152.76 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -111.77 159.76 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.5 142.87 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.732 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.09 120.52 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 m -159.32 97.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m 60.6 26.77 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.35 -113.03 0.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -144.57 114.71 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.42 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 2.4 ttm -112.41 145.0 40.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -138.02 116.66 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.198 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.7 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.244 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 141.65 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.487 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -109.7 134.42 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.56 161.61 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.396 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.24 131.14 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.235 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.434 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 18.3 t -124.62 143.03 39.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 0.0 111.706 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -120.09 148.76 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.552 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -148.08 105.08 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.99 30.33 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.96 -27.47 17.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -68.88 109.57 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -97.23 132.12 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.3 mttm -156.79 172.27 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.7 tp -115.27 120.92 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.436 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.9 m-85 -120.22 143.81 48.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -98.17 147.97 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' HB1' ' CD2' ' A' ' 129' ' ' PHE . . . -137.47 133.03 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 8.0 ptpt -115.1 116.77 28.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.49 150.14 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.176 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.451 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 24.7 t90 -127.47 141.78 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -150.79 121.87 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -97.66 173.48 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.402 HG13 ' CE3' ' A' ' 120' ' ' TRP . 11.1 p -116.26 -38.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.402 ' CE3' HG13 ' A' ' 119' ' ' VAL . 42.4 p90 -82.44 -21.18 35.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -25.16 14.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.762 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.0 139.78 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.07 126.43 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -162.79 173.35 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 111.206 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 tt -86.18 139.95 30.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 13.5 mp0 -98.51 -54.78 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -145.59 155.86 43.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.332 0.587 . . . . 0.0 111.79 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.498 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.0 t80 -136.03 109.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.003 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.9 151.36 20.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.436 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.8 p90 -112.2 109.89 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.58 -169.88 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.23 -70.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -176.36 158.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.51 -27.52 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 62.1 29.07 17.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.01 -45.2 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.722 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.9 mp0 -74.47 -54.02 3.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.989 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 72.7 Cg_endo -77.04 176.21 10.42 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.528 2.152 . . . . 0.0 112.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.42 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -177.24 151.84 0.94 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.2 179.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 112.304 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.97 156.45 79.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.67 -168.11 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.623 2.216 . . . . 0.0 112.289 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.2 119.72 29.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.42 142.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -177.0 79.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -169.37 161.89 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.7 164.18 15.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.65 128.28 14.13 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.6 2.2 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.93 -176.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.89 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -164.61 163.2 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.12 173.7 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -169.38 122.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.11 135.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -176.44 152.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -162.48 35.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.0 -50.04 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -140.2 177.82 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.14 75.53 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.7 mt -157.95 117.38 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 t60 -64.45 162.12 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -176.71 -168.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 61.31 89.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -127.55 -49.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -143.82 75.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.72 37.98 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 60.62 87.96 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.25 -176.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.205 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 179.81 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -131.24 -176.58 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -131.08 87.93 46.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.36 173.85 10.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -81.35 158.54 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.94 160.18 9.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.18 -167.2 29.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 20.6 mm -82.49 78.81 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 1.9 m-85 -176.57 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.5 152.49 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -166.21 53.29 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -75.97 -35.71 2.36 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.579 2.186 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tt 55.99 62.46 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.01 -32.89 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.03 58.19 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -105.65 17.09 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -58.49 -30.73 67.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.74 -53.52 0.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 31' ' ' LEU . 6.3 t80 -65.99 -40.68 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.75 -49.01 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -60.13 -44.2 95.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.22 -43.84 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.73 -45.41 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.25 -53.83 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.57 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.31 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.34 -55.36 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.8 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 56.6 t -51.36 -51.13 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.98 67.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -64.57 -40.67 95.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -91.23 -20.01 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -84.72 -23.94 29.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.654 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.21 -36.28 24.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 111.407 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -50.16 -45.52 53.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.5 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.6 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.489 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.5 178.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.58 -175.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.51 44.83 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.8 pp -59.76 178.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.41 119.25 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -69.85 149.47 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 m -103.6 -36.29 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 174.86 165.81 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -88.41 140.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.315 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 -17.72 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.386 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -145.81 153.6 41.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.92 132.01 10.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 154.9 47.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -112.81 142.32 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -141.48 154.48 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.14 117.93 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m -160.24 100.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 70.4 m 60.51 25.89 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.02 -113.09 0.58 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.161 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.8 mmt -145.95 114.63 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.449 ' HE1' ' CG ' ' A' ' 116' ' ' TRP . 2.3 ttm -113.16 124.38 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -108.28 126.25 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.278 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -112.76 97.43 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.297 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -123.74 141.59 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.42 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -106.72 139.49 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.486 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.3 m -137.0 160.82 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.515 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -89.31 140.61 29.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.472 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 14.8 m -113.96 151.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.469 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -135.17 135.94 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.673 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -137.26 86.72 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.59 30.24 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.367 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -39.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 109.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.752 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -105.96 133.49 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -153.49 -178.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.3 tp -130.17 113.9 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.472 ' CE2' ' CG2' ' A' ' 102' ' ' VAL . 10.5 m-30 -117.4 141.31 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.94 142.21 27.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -132.04 133.24 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.4 ptpp? -123.78 115.87 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.75 150.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.251 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.478 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.3 t90 -122.65 142.84 50.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -153.89 127.1 8.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.478 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.0 mp0 -100.15 175.33 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -114.97 -37.33 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.415 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.5 p90 -83.52 -21.42 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.995 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.3 tpp -97.28 -25.3 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.657 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.37 38.55 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 142.02 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.08 133.2 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -162.77 170.66 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.4 132.72 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.645 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.29 -62.33 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.979 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -147.06 156.63 43.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 111.327 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.504 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.6 t80 -137.41 109.14 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 6.6 p -98.98 151.4 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.834 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 26.6 p90 -111.32 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.46 -170.41 2.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.94 -70.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -176.96 166.87 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.115 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.786 0.327 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.22 -29.94 67.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 61.58 77.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -112.73 56.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.9 mm-40 61.0 53.26 2.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 74.5 Cg_endo -75.06 126.39 9.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tttt 62.05 116.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -177.16 166.4 1.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.52 125.86 13.97 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.214 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -93.41 156.11 40.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.4 Cg_endo -75.24 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.27 119.69 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.28 159.66 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -177.27 87.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.59 176.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.92 163.28 52.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.75 162.12 43.04 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.507 2.138 . . . . 0.0 112.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.83 -41.21 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 170.53 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 154.57 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.14 82.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.14 161.16 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.83 -176.08 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -131.78 170.68 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 60.56 31.63 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -158.64 -74.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.61 148.34 37.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.19 42.36 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' CD2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -131.99 127.4 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -108.86 -175.18 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -176.35 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 60.78 36.65 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -125.95 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.52 162.37 20.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 71.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 59.18 82.59 0.23 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.95 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.77 -167.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -157.71 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -132.43 91.12 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 169.65 17.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.166 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.11 158.8 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 173.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.4 -173.92 45.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 -163.83 11.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mm -82.93 63.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.984 0.421 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -177.09 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.46 133.28 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.02 64.36 40.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 20.1 Cg_exo -65.46 -66.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 56.58 54.18 7.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.933 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -58.41 -30.76 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.61 58.01 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.53 17.24 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -58.44 -42.98 88.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.3 -47.8 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.559 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' CD2' ' CD1' ' A' ' 29' ' ' LEU . 89.0 m-85 -66.13 -39.02 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.07 -50.09 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -59.78 -41.65 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.98 -45.36 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.55 -48.02 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.18 -53.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.27 -54.42 36.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.16 -36.18 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.72 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.55 -59.54 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.88 53.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 59.3 t -51.35 -52.76 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.69 -30.96 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -62.64 -41.65 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -92.02 -17.25 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -88.07 -20.49 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.535 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.47 -35.0 21.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.71 0.291 . . . . 0.0 111.292 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -85.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.375 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.44 13.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.325 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -84.96 -165.55 1.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.11 -164.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 88.12 2.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.42 -177.52 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -140.98 127.63 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -74.75 149.45 39.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.685 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 m -104.17 -37.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 174.65 166.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -88.97 142.03 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.222 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.04 -15.13 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.529 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -147.63 155.94 42.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -155.41 126.97 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 160.8 37.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 96' ' ' HIS . 64.3 mt-10 -117.13 158.91 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.51 141.67 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.72 121.19 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.277 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.6 m -160.1 96.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.4 m 61.41 25.84 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.82 -114.17 0.61 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.223 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -145.9 114.67 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.454 ' HE1' ' HB2' ' A' ' 116' ' ' TRP . 3.2 ttm -113.42 139.23 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.411 ' CE1' ' HG2' ' A' ' 88' ' ' GLU . 12.7 t60 -126.2 121.42 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.112 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.431 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -101.9 94.0 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.92 141.7 47.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.419 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.26 137.26 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.408 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.74 160.42 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 0.0 111.355 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -89.43 135.47 33.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.432 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 17.0 t -124.3 150.41 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.425 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -128.03 146.23 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.78 106.19 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.34 29.98 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.94 -27.33 17.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -69.23 109.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -100.06 137.03 39.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.1 mtmt -159.9 171.92 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 tp -114.48 120.92 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.644 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.6 m-85 -120.03 140.95 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.35 142.58 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -134.8 129.68 34.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.7 ptpt -119.18 117.98 30.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.59 150.14 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.454 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 24.9 t90 -125.51 142.65 51.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -152.45 125.74 8.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.29 175.09 5.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.64 -37.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -84.76 -21.0 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -24.93 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.07 139.18 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 128.6 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -162.71 172.71 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -77.61 138.87 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.4 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.17 -61.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -146.12 157.16 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 111.314 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 6.9 t80 -138.27 108.75 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.362 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.9 p -98.94 151.22 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 22.1 p90 -109.33 106.88 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.32 175.52 7.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -58.76 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -161.13 154.67 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.075 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HG3' ' CD2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.03 -52.15 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.82 79.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -67.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.4 mt-30 -142.12 53.17 2.93 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 74.5 Cg_endo -75.14 137.08 20.94 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.57 2.18 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 60.92 112.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -172.27 154.27 3.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.04 127.73 15.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.258 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -100.25 156.13 35.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 72.5 Cg_endo -75.0 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.85 119.56 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 175.26 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.99 84.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -168.53 -176.96 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.95 162.02 27.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 83.66 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.545 2.164 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.9 171.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.64 -31.21 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -172.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.52 108.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -132.45 -174.63 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.57 35.84 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -106.15 31.62 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -106.5 164.03 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -106.11 96.39 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 60.61 -176.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 -106.09 2.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 18.0 mt -144.66 179.7 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -106.19 -177.96 3.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -170.67 148.77 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -60.35 161.3 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.82 88.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -173.8 172.91 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.38 -179.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -106.24 86.42 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 179.4 3.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.207 . . . . 0.0 112.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.59 173.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.22 -171.96 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -104.9 149.15 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -172.85 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.52 2.147 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.76 158.52 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ptp -58.48 144.77 41.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.59 -175.75 44.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.17 -162.62 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 15.5 mm -87.42 68.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -177.02 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.52 140.17 47.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -141.23 53.0 3.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.3 Cg_endo -59.39 -74.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.592 2.195 . . . . 0.0 112.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 58.49 71.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -60.14 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -85.26 64.6 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.64 17.18 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.38 -37.13 74.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -48.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 29' ' ' LEU . 61.8 m-85 -64.72 -39.0 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.88 -51.01 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -59.84 -38.46 82.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.1 -52.04 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -58.31 -43.82 88.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.88 -53.33 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.99 -54.27 45.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -37.5 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.86 -58.8 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.69 55.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.428 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 53.5 t -51.36 -50.37 28.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -67.77 -28.83 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.37 -41.92 96.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.74 -20.15 23.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -84.89 -23.73 28.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.735 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.67 -35.79 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.708 0.289 . . . . 0.0 111.4 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.3 -45.21 54.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.77 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.548 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.72 173.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.201 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.02 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.85 88.4 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -176.47 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.738 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -139.02 133.87 32.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -81.83 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.716 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 m -104.04 -36.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 176.09 164.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -89.88 142.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.79 -14.85 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.515 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -147.74 155.89 42.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -160.54 121.78 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.19 151.93 51.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.19 133.55 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HG3' ' CD1' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -130.99 155.59 46.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.61 117.59 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -160.61 102.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 17.6 m 60.15 26.36 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.788 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.43 -112.35 0.57 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.152 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.6 mmt -147.48 114.7 6.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.42 ' HE1' ' CD1' ' A' ' 116' ' ' TRP . 2.8 ttm -113.05 128.64 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -112.04 117.18 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.235 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.6 m-85 -103.11 98.63 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.46 141.66 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 135.13 52.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.402 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.42 158.96 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.267 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -89.35 130.93 35.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.441 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.9 t -119.5 150.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -126.06 146.14 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.667 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -151.6 111.46 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.79 29.36 7.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.365 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.24 -27.91 15.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.549 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 109.48 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.785 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -105.3 131.58 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 1.1 mtpp -157.68 178.2 10.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.3 tp -116.89 121.99 43.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.671 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.1 m-85 -121.18 144.45 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.7 140.81 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.049 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 129' ' ' PHE . . . -131.31 127.41 37.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -116.48 117.26 29.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.001 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.64 150.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.452 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 23.8 t90 -123.7 143.09 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -152.62 123.26 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -100.02 174.2 6.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.948 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.45 -38.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.4 p90 -83.0 -21.19 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.92 -25.23 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.76 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.48 44.35 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.72 138.06 50.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -144.47 126.17 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -162.73 171.95 16.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.6 tt -76.89 138.85 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.623 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.19 -62.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -146.22 157.14 43.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.495 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 7.9 t80 -135.55 108.33 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 151.25 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.016 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.43 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 39.9 p90 -108.8 110.71 22.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.18 -172.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.46 84.07 0.51 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.83 -177.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 111.581 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.087 -179.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.1 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 60.67 31.55 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -92.3 49.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 60.88 63.64 2.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.67 -61.9 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.547 2.164 . . . . 0.0 112.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -114.82 128.27 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -177.11 149.73 0.82 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -51.63 168.69 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.253 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.417 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -130.41 156.3 79.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.9 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.0 119.65 22.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.46 161.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -176.35 90.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 165.41 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.46 66.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.91 165.27 33.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.49 93.56 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.45 175.79 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -159.57 95.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.54 111.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.74 119.84 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.69 99.16 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.21 -31.68 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 60.63 102.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.25 -34.16 7.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -135.72 -67.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.61 43.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' CD1' ' CE1' ' A' ' 57' ' ' PHE . 4.2 mm? -105.92 165.76 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -131.49 155.74 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -131.56 171.02 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.84 -39.8 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -68.81 -49.19 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -65.52 151.49 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.98 145.68 31.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 -167.81 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.152 . . . . 0.0 112.209 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -167.93 148.06 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.58 172.06 13.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -92.35 139.53 24.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 176.73 9.63 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.541 2.161 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -116.28 158.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.62 175.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.49 -118.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.37 -171.75 44.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.3 mm -69.69 -11.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.586 0.232 . . . . 0.0 111.517 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -109.91 -29.92 8.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 146.61 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.9 52.38 0.28 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.3 Cg_endo -75.27 -39.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.5 2.133 . . . . 0.0 112.278 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 54.6 60.87 3.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -56.52 -28.52 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.48 45.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -94.7 17.21 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -58.49 -29.66 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.68 -53.83 0.79 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.579 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 40.4 m-85 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.815 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.21 -49.45 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -59.69 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.17 -48.71 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -58.03 -41.12 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.53 -53.25 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.55 -54.35 45.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.62 -37.22 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.32 -60.13 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.69 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 48.4 t -51.39 -51.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -67.31 -29.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -64.25 -41.6 96.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -90.13 -20.18 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -84.88 -23.48 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.746 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.96 -35.87 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.726 0.298 . . . . 0.0 111.372 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -50.26 -45.34 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.63 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.567 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.59 173.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.35 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.59 87.76 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.18 -177.04 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -139.49 131.6 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.139 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -78.83 149.58 32.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 m -103.66 -36.66 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.017 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 175.09 165.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.58 142.77 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.31 -13.86 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.542 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -148.13 154.53 40.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.52 127.62 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.048 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 161.58 37.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.762 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -117.72 159.77 22.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.059 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.23 142.59 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.63 118.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -160.54 101.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 62.3 m 59.59 25.38 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.61 -113.16 0.57 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.194 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -145.92 114.67 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.484 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.12 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.0 125.46 44.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.416 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -107.69 95.89 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.521 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.21 141.63 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.84 138.51 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.559 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.32 158.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -89.46 133.72 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.419 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.8 t -122.24 150.88 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.485 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -128.04 148.87 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.65 109.24 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.35 29.55 11.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.35 -27.8 15.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.34 109.53 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -102.54 142.57 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 11.2 mttp -165.59 175.73 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 tp -117.67 121.26 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.673 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.5 m-85 -120.67 142.26 49.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.51 139.85 30.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.063 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.32 47.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -121.56 116.73 25.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.808 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 19.6 t -106.6 150.07 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.484 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 23.5 t90 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.15 122.46 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.47 173.83 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.84 -37.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.409 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -83.25 -20.73 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -24.78 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.11 44.86 7.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.81 138.67 50.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.97 127.19 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -162.71 173.85 13.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 tt -76.7 139.19 40.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -58.11 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.269 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -146.93 157.19 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.343 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 9.2 t80 -139.8 106.79 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.307 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.6 p -99.04 150.21 22.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.3 p90 -107.04 110.51 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.08 -171.71 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.8 83.74 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.73 -177.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.977 0.417 . . . . 0.0 111.608 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.11 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 tpp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.0 -26.03 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 64.25 28.98 13.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -92.12 -39.62 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.739 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.426 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -74.74 -53.39 3.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.015 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 72.4 Cg_endo -77.94 -173.47 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.504 2.136 . . . . 0.0 112.363 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 45.22 39.34 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.382 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -132.85 157.41 78.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 -179.95 3.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -128.36 156.45 76.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.7 Cg_endo -74.96 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.62 -169.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.06 158.1 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.52 -174.51 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.58 -177.99 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.25 156.37 41.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 140.06 41.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.565 2.177 . . . . 0.0 112.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.65 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.81 131.74 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.57 134.06 49.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.04 161.48 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -98.07 -179.31 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.03 146.62 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.13 -46.44 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -144.31 158.1 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 60.35 80.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -106.33 -74.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.69 -131.59 5.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.6 -177.8 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -131.9 88.63 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -105.22 140.56 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.33 80.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -175.89 109.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -66.87 -178.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -113.26 90.41 16.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -51.54 -177.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.57 2.18 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.21 -168.89 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.44 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -112.62 91.3 16.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 177.76 4.41 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.499 2.133 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -85.26 158.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -177.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.87 154.87 6.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.05 -173.18 48.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.6 mm -75.37 63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -179.65 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 133.15 46.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -171.55 67.13 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.69 -30.06 44.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.49 2.127 . . . . 0.0 112.086 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.31 75.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.88 -35.75 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.52 48.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.84 17.17 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.5 -29.6 66.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.52 -39.47 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.19 -55.51 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.32 -53.26 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -59.32 -36.54 75.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.74 -60.34 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.288 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -56.52 -41.13 76.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.36 -53.83 51.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.09 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.35 -54.29 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.224 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.35 -38.78 88.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.46 -58.0 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' CA ' HD11 ' A' ' 126' ' ' LEU . . . -58.31 -54.4 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.418 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 45.7 t -51.31 -51.5 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -66.76 -28.43 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.46 -43.55 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -88.16 -19.47 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.18 -25.91 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.718 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.37 -35.03 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.8 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.438 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.4 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 111.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.78 169.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.367 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.71 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.31 89.42 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.42 -176.16 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -139.85 134.22 31.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.25 149.51 28.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.665 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.8 m -104.09 -37.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.008 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 175.28 165.54 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -87.86 145.75 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.2 p -121.71 -11.99 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.722 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -148.73 149.54 31.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.905 0.383 . . . . 0.0 111.183 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -145.88 133.89 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -146.1 142.41 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.16 145.8 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 12.2 tt0 -145.63 149.64 34.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.35 116.43 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -160.97 106.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t 60.03 26.26 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.06 -111.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.225 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.92 114.64 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.78 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.424 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 6.4 ttm -114.87 136.95 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.05 114.88 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -99.12 106.65 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -128.46 141.64 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 0.0 111.281 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -107.22 140.33 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.453 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.33 159.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.443 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -89.49 133.31 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.433 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 20.8 t -122.12 149.23 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 111.502 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -123.71 147.43 47.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.79 86.67 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.94 31.34 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.417 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.73 -39.28 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.545 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.89 109.49 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.739 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.49 133.48 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.7 mttp -157.01 173.89 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.6 tp -116.32 121.17 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.563 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -121.82 144.44 48.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.43 144.01 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 129' ' ' PHE . . . -135.75 136.83 41.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpt -121.1 119.12 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -106.56 150.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.6 t90 -127.55 143.3 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.14 124.96 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.462 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -101.13 174.78 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.8 -37.85 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -83.39 -21.34 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -25.46 15.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.675 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 44.31 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.15 140.87 50.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 126.14 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.67 175.36 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.289 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.405 HD11 ' CA ' ' A' ' 66' ' ' ALA . 3.3 tt -80.62 139.91 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.408 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -95.41 -59.63 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -146.71 157.18 43.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.515 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 6.4 t80 -138.45 106.84 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.429 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.0 p -99.03 151.3 21.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -111.25 111.85 23.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.821 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.24 -169.82 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.18 -67.34 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -177.01 161.19 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.099 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.72 -54.97 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 60.26 31.49 20.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -67.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -151.76 54.11 1.26 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.71 -38.09 4.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.557 2.171 . . . . 0.0 112.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -132.17 108.22 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.36 164.83 2.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.77 141.31 53.92 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.614 2.209 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.419 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -108.7 156.44 38.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.71 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.47 119.74 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.34 159.89 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.91 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -168.89 170.7 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.09 160.15 69.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.26 178.24 5.71 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.557 2.172 . . . . 0.0 112.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.93 78.07 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.87 167.27 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.21 117.5 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.59 111.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.72 118.82 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 115.52 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.02 151.07 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -105.16 137.75 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 60.4 85.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.31 109.0 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.65 134.79 7.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.2 mt 60.24 176.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CZ ' ' A' ' 57' ' ' PHE . 8.0 m170 -131.68 -176.57 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.7 mt -131.98 167.25 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -107.04 -47.18 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -169.61 -48.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -60.3 167.12 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -154.58 68.66 5.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 167.98 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.54 2.16 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.46 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.29 -169.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -104.16 149.17 36.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.18 -168.13 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.578 2.185 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.1 tp -120.06 154.45 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.14 146.32 18.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.82 -163.81 34.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.76 -163.24 9.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mm -75.94 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.57 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.02 124.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -139.99 52.25 3.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 71.9 Cg_endo -77.33 -42.82 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.401 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 56.52 73.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.86 -49.51 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -70.65 65.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 17.19 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.39 -30.59 66.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.824 0.345 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.99 -48.92 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.563 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -64.0 -40.61 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.789 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -69.83 -52.61 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -58.58 -45.86 88.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -60.19 -47.67 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.79 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.64 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -38.94 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.04 -54.94 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.15 -55.65 32.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.321 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.9 -54.43 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -63.51 -29.41 70.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.32 -43.48 90.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -88.94 -15.0 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -86.79 -33.9 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.408 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.89 -36.17 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.348 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -43.18 54.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.97 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.739 0.304 . . . . 0.0 111.278 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.7 171.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.396 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.01 -169.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.99 40.19 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.84 175.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -142.36 133.21 25.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.18 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.59 149.45 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -104.39 -35.61 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.055 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 176.29 164.25 0.41 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 m -86.96 143.1 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.0 p -117.15 -15.59 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.503 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -147.32 154.81 41.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.333 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.69 136.05 12.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.84 157.7 43.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.92 147.68 34.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.42 142.31 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -114.65 116.61 53.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 m -159.92 103.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t 59.75 27.22 16.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.11 -111.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.202 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -144.87 114.56 7.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.817 0.341 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.474 ' HE1' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -115.07 127.37 55.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -111.09 131.69 54.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -119.33 101.76 8.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 141.7 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.052 0.454 . . . . 0.0 111.269 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -106.03 142.76 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.589 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -140.27 158.53 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.26 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.28 124.3 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.404 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 9.9 t -114.03 144.61 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.069 0.461 . . . . 0.0 111.704 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -121.19 150.79 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -150.07 105.63 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.88 29.8 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.44 16.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -70.12 109.48 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -94.26 140.96 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 15.1 mttt -159.98 -178.71 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 111.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.8 tp -128.41 115.81 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.1 m-85 -117.49 140.01 50.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 1.3 tt0 -92.27 145.47 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.78 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.86 134.32 40.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.175 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.1 ptpp? -123.33 116.07 22.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.7 p -106.71 150.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.474 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 22.2 t90 -123.2 145.94 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.28 121.68 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.0 OUTLIER -101.88 176.29 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.868 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.36 -36.57 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -84.64 -20.57 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -23.19 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.727 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.49 50.98 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.56 143.64 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.713 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -153.77 119.07 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.75 174.15 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.25 139.99 44.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -97.12 -59.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -146.75 156.96 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.061 0.458 . . . . 0.0 111.202 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD2' ' CE2' ' A' ' 70' ' ' TYR . 6.2 t80 -136.14 109.78 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.417 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.01 151.2 21.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.044 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.426 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 25.6 p90 -111.2 111.12 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.72 -169.33 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -104.63 83.68 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 p30 47.85 -178.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.68 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.077 -179.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.97 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.87 79.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.12 -75.17 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 89.8 mm-40 -152.2 53.95 1.19 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 59.0 Cg_endo -71.89 -28.09 16.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.588 2.192 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.61 107.2 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.65 157.36 1.2 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.81 179.52 1.75 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.577 2.185 . . . . 0.0 112.273 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -132.42 156.14 80.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.5 Cg_endo -75.3 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.94 119.73 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.59 157.69 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.37 76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -157.57 177.39 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.11 169.13 14.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.86 173.97 13.54 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.37 113.2 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.03 -169.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 60.55 88.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.87 34.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -106.07 150.33 25.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.54 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -95.36 154.85 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.03 124.34 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.35 110.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 60.31 82.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.94 78.55 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.91 128.14 34.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -86.31 83.12 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.6 tt -131.04 128.77 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -134.77 89.82 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.51 35.83 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t0 61.21 112.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 60.81 -177.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 6.1 mm-40 -114.3 87.7 14.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -177.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.41 174.58 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.43 -174.71 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -107.84 87.5 3.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.81 140.83 43.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.545 2.164 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.6 tt -84.53 158.5 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -177.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.95 -146.57 14.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.03 -156.18 7.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm -97.55 36.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -166.19 108.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -164.53 -66.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 58.12 52.89 5.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.1 Cg_endo -76.92 -45.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 49.33 44.51 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -57.51 -30.65 65.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -95.98 69.24 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -105.58 17.1 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.7 -31.02 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.88 -45.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.89 -50.18 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.74 -36.24 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.774 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' CD ' HG22 ' A' ' 83' ' ' VAL . 5.1 ttpt -62.14 -49.38 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 2.6 mt-10 -74.26 -38.66 63.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.36 -49.99 75.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 110.502 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.95 -53.61 19.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.17 60.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.8 0.333 . . . . 0.0 111.218 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -41.05 97.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 36' ' ' GLU . 58.3 t80 -56.12 -56.03 25.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.53 -54.76 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -51.36 -54.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -65.11 -31.34 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -93.52 -16.24 24.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -88.27 -21.61 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.392 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -83.69 -35.21 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 111.32 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -85.43 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.61 14.58 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.84 -165.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.346 . . . . 0.0 110.983 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.71 -164.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.89 89.48 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.34 -176.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -140.12 129.39 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -78.44 149.75 33.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.623 179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 27.4 m -105.8 -38.59 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 15.5 ptm180 176.87 166.35 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG22 ' CD ' ' A' ' 59' ' ' LYS . 4.1 m -90.0 141.55 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.53 -18.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.405 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -145.6 155.78 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.32 123.94 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.012 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 158.79 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -119.25 159.45 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.26 142.93 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.6 118.84 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 m -159.57 100.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.2 m 60.35 24.41 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.23 -114.15 0.62 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.2 mmt -145.33 114.67 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.45 ' HE1' ' CG ' ' A' ' 116' ' ' TRP . 2.3 ttm -112.79 143.39 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -132.02 122.4 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.195 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -104.31 93.73 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.12 141.67 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.436 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.34 134.34 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.438 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.54 160.86 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.409 . . . . 0.0 111.292 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.28 134.32 34.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.435 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 22.1 t -124.59 148.82 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.312 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -123.4 144.8 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.747 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.38 86.67 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.56 29.31 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.361 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.95 -38.23 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -67.81 109.51 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.34 130.22 46.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -156.14 169.13 25.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.6 tp -112.56 121.72 45.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.48 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -119.2 143.46 47.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.48 139.55 31.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.413 ' HB3' ' CE2' ' A' ' 129' ' ' PHE . . . -131.99 131.43 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.7 ptpt -119.43 117.78 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.9 t -106.62 150.07 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.452 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.4 t90 -126.88 142.25 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -152.48 126.32 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.61 174.96 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.39 -37.22 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -84.43 -21.08 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.26 40.43 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.66 139.53 53.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.1 129.52 16.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.74 174.02 13.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -79.96 137.55 36.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.673 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -61.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -146.56 157.15 43.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.477 . . . . 0.0 111.278 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 70' ' ' TYR . 8.0 t80 -139.11 105.85 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.294 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.7 p -99.08 151.21 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.006 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.7 p90 -107.77 109.93 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.17 -171.65 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.71 -79.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -165.84 161.19 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.119 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.69 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.59 30.72 0.54 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -77.83 -48.85 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -73.85 -57.13 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.944 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 67.7 Cg_endo -74.74 171.43 18.24 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.5 2.133 . . . . 0.0 112.335 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 77.27 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.02 166.75 1.35 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.95 163.44 37.54 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.503 2.135 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.14 156.52 78.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.6 Cg_endo -74.35 -168.24 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.16 119.81 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.16 150.1 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -176.8 103.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -176.54 179.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -131.12 163.6 48.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.08 176.83 6.48 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.583 2.189 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.7 -42.19 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.97 79.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.93 -31.74 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.23 146.31 29.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.75 140.1 32.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.27 165.05 33.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.09 175.7 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.84 152.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -105.56 107.28 18.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.66 -175.43 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.39 -50.03 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 4.4 pp -139.54 149.88 44.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -175.28 151.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.66 -169.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -161.12 140.54 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -170.23 -66.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.67 78.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.09 76.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 59.77 87.7 0.13 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.12 -176.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -176.58 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.74 144.87 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -106.89 87.43 2.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -168.86 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.577 2.185 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.87 158.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.95 -149.65 21.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.2 176.58 20.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.0 mm -74.59 75.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.092 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -177.71 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.9 153.15 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.23 52.65 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 77.6 Cg_endo -77.58 -42.7 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.564 2.176 . . . . 0.0 112.504 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 57.03 104.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.909 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -85.57 -49.39 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -74.14 64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -102.02 17.07 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -59.3 -30.45 68.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' HA2' ' HG2' ' A' ' 59' ' ' LYS . . . 123.96 -46.65 1.08 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 76.6 m-85 -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.75 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.62 -51.74 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' HA2' ' A' ' 56' ' ' GLY . 10.8 ptmt -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.18 -60.28 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.256 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.21 -40.48 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.53 -53.78 51.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.93 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -37.77 84.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -58.21 -58.95 6.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.44 47.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.6 t -51.38 -50.9 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -30.71 71.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.802 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -62.85 -44.65 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -90.39 -15.57 30.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 75' ' ' ASN . 23.9 t-20 -88.25 -22.16 24.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.689 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -85.22 -34.44 22.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.424 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.81 -43.76 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.767 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.49 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 0.0 111.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 10.0 t-20 -44.59 166.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.375 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.9 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.556 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.0 97.28 5.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.39 -177.15 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -143.92 135.81 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -79.17 149.53 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.4 m -103.66 -36.62 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ptt85 176.09 164.13 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.7 m -89.02 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.79 -13.68 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.63 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -148.43 156.58 42.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 0.0 111.124 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -157.97 126.96 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.29 156.99 46.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.65 143.57 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.059 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -154.74 154.79 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.799 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.5 t -105.89 124.66 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 m -160.26 96.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.704 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 15.3 m 61.42 26.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.54 -112.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.075 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.9 114.7 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.792 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.461 ' HE2' ' CG ' ' A' ' 116' ' ' TRP . 2.3 ttm -113.45 133.4 55.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.76 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 4.6 t60 -122.02 123.29 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.053 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -105.92 94.75 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.44 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 96' ' ' HIS . 0.5 OUTLIER -113.02 141.58 46.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.295 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -112.48 137.62 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.85 157.57 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.277 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.34 132.34 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.423 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 18.9 t -119.61 151.72 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -124.28 144.43 49.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.13 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.31 31.0 8.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.377 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.87 -39.22 1.95 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.18 109.51 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -105.03 137.19 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 32.5 mttt -161.07 175.59 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.13 121.51 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.703 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 4.8 m-85 -122.1 142.74 50.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -93.89 140.38 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.9 128.43 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.9 ptpt -116.38 116.1 27.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.67 150.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.465 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.4 t90 -125.0 143.15 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.88 124.7 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -100.2 174.65 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.1 p -115.53 -37.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.0 p90 -83.68 -21.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -25.04 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.742 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.41 42.55 8.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.1 140.22 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 127.54 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -162.76 172.77 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.251 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.58 135.1 37.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -146.11 157.17 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.129 0.49 . . . . 0.0 111.318 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.506 ' CD1' ' CE1' ' A' ' 70' ' ' TYR . 10.5 t80 -137.41 107.68 6.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.302 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.1 p -99.04 148.33 24.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.01 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 29.4 p90 -105.73 109.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.71 -170.94 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.71 83.46 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 47.14 -175.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.609 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.081 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.01 -55.57 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 179.37 155.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -169.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -167.16 53.49 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 81.7 Cg_endo -77.73 135.42 14.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.557 2.171 . . . . 0.0 112.429 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 43.09 92.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.544 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -155.51 165.22 18.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 140.45 57.19 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.527 2.151 . . . . 0.0 112.196 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.87 155.51 36.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.15 -167.89 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.326 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.78 119.68 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.26 178.42 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -146.0 -53.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.52 -171.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.51 168.13 8.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.78 142.02 34.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.573 2.182 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 121.38 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.62 168.38 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -72.65 159.51 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.38 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -137.55 153.47 49.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.98 101.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.19 138.3 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -105.19 174.73 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 60.43 80.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -132.42 110.05 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.67 -66.42 1.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 3.8 mm? -92.38 142.19 27.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -106.16 154.38 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -166.47 -169.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.84 133.62 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -72.79 80.17 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.81 79.97 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 60.31 -178.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -119.53 78.93 21.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.3 166.28 0.77 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.583 2.189 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -175.97 -168.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -148.83 167.02 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -88.56 143.72 32.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.568 2.179 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -111.58 166.17 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.32 147.57 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.15 162.07 13.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.91 -142.86 13.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.504 HG23 HD12 ' A' ' 46' ' ' ILE . 8.0 mm -98.22 33.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -135.06 -45.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.009 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.41 126.33 24.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -137.79 51.04 3.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -60.97 -73.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.491 2.127 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 1.6 tt 60.89 79.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.76 -31.36 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -78.89 61.85 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -99.08 17.14 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.253 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -58.73 -41.45 86.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.91 -45.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 29' ' ' LEU . 94.8 m-85 -67.24 -40.18 86.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.65 -48.6 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -62.38 -40.32 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.84 -50.53 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.76 -45.38 86.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -61.65 -53.16 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.64 -54.33 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -36.92 83.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.12 -56.94 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.4 -54.22 48.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' HA ' ' CD2' ' A' ' 70' ' ' TYR . 44.8 t -51.32 -54.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.81 -29.81 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.98 -40.55 96.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -91.35 -20.22 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.061 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.58 -23.33 29.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -83.98 -36.09 23.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.289 . . . . 0.0 111.38 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -50.31 -45.67 54.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.528 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.52 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.544 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.64 174.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.246 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.17 -173.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.03 88.57 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.39 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.79 149.47 29.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.633 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 m -103.93 -36.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 175.31 165.17 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -88.98 141.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.297 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.64 -16.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.383 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -147.72 155.42 41.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -156.15 121.26 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -134.2 161.46 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -119.91 158.72 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 4.4 tt0 -152.7 160.05 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.1 t -124.2 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.323 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.0 m -160.27 96.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 58.6 m 61.97 24.15 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.71 -116.33 0.72 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.224 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.12 114.77 6.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.467 ' HE1' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -109.0 148.85 30.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -132.71 115.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.0 m-85 -99.65 94.11 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.86 141.63 47.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -112.61 136.7 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.504 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.91 160.34 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -89.33 129.74 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 21.3 t -117.96 149.06 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 0.0 111.514 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -124.57 146.74 48.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -132.46 86.65 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.4 30.9 8.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.83 -38.91 2.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -68.53 109.46 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.702 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.01 134.77 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.59 172.53 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 tp -115.35 120.46 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.617 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.6 m-85 -119.83 143.7 47.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.45 142.02 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 129' ' ' PHE . . . -134.08 132.01 39.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpp? -122.21 118.85 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 150.09 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.467 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 25.0 t90 -123.06 141.18 52.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -152.65 127.14 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -104.97 176.58 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.69 -36.2 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.412 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.8 p90 -85.51 -21.38 28.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.56 -24.21 15.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.5 49.86 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.6 137.86 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 125.12 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -162.7 172.55 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -76.98 139.92 40.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.405 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -96.19 -62.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -145.26 157.17 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.107 0.479 . . . . 0.0 111.432 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.5 ' CD1' ' CE2' ' A' ' 70' ' ' TYR . 5.7 t80 -137.97 107.66 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.16 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.4 p -98.94 151.25 21.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.45 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.3 p90 -109.27 108.58 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.28 176.26 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.71 -79.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -168.0 154.86 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.82 -55.55 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 60.24 80.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -128.29 -47.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.7 mm-40 -157.52 54.11 0.76 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 57.0 Cg_endo -71.04 -45.5 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.548 2.166 . . . . 0.0 112.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -134.69 123.81 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.01 160.15 1.49 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 157.46 6.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.559 2.172 . . . . 0.0 112.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -130.22 156.48 79.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.53 -168.19 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.616 2.211 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.48 119.74 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 162.4 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -169.38 102.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.5 -179.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.62 163.99 39.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.77 144.6 49.11 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.538 2.159 . . . . 0.0 112.335 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.52 96.12 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.48 -176.09 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -151.0 117.27 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.36 -179.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.33 153.49 29.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.56 -64.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.01 124.33 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -150.03 133.59 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.75 87.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -101.93 -178.37 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.99 -45.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -105.82 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -134.65 85.19 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 tt -164.88 134.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.59 -67.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 60.07 36.75 21.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.51 118.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.83 -177.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -114.52 87.4 14.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -176.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.37 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -134.61 -178.55 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.46 179.79 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.65 87.82 2.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.59 155.39 66.63 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.572 2.181 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.37 158.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.9 ptp -58.3 -176.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.18 -160.63 26.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.36 -133.86 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mm -98.39 30.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.26 -45.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.96 110.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.34 52.38 3.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 72.2 Cg_endo -76.72 -33.86 2.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tt 55.83 52.04 11.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -58.37 -31.4 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -80.88 61.0 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -98.73 17.15 20.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -59.33 -30.77 68.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.01 -45.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.0 -37.9 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.64 -50.2 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -59.93 -45.69 91.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.52 -39.92 80.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.72 -50.03 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -65.24 -53.85 38.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.91 -54.39 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.95 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -64.3 -58.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.31 -55.39 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.51 -58.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.967 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -32.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.79 -45.78 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -90.53 -9.55 46.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -91.8 -26.17 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.668 0.27 . . . . 0.0 111.36 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -76.75 -32.04 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -50.16 -82.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.78 24.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.79 -166.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 111.347 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.84 -27.02 60.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.383 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.96 82.54 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.001 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 HD12 ' CG1' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -109.68 -172.61 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -133.54 131.78 40.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.273 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.62 149.37 26.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 m -105.86 -37.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 176.74 164.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.9 m -90.66 143.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.94 -19.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.306 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -145.49 153.25 40.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -157.28 136.61 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.0 160.0 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.642 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -128.5 139.2 52.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 2.7 pt20 -144.61 150.56 37.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -101.65 126.23 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.384 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 m -162.82 97.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.651 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 7.8 m 61.28 25.55 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.46 -109.68 0.5 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.077 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.1 mmt -148.53 114.65 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.796 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.434 ' HE2' ' CD1' ' A' ' 116' ' ' TRP . 4.1 ttm -114.37 129.83 56.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.763 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -110.94 125.06 53.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.446 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -112.96 102.38 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.325 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.408 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -129.53 141.73 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.73 138.22 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.479 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.09 161.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 111.427 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -89.3 133.89 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.341 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.431 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 15.8 t -128.39 142.95 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.411 . . . . 0.0 111.618 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -119.61 150.84 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -150.19 107.26 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 55.6 29.95 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.55 -27.92 15.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 109.53 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.354 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -101.45 137.0 40.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 12.1 mttm -159.37 174.83 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.0 120.18 39.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 6.0 m-85 -120.8 141.63 50.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.124 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 144.58 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -136.79 135.87 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.288 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -124.15 121.03 34.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.99 150.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.472 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 25.8 t90 -123.91 143.11 50.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.87 124.64 7.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.472 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.3 mp0 -100.36 174.49 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.53 -38.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -82.56 -21.05 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -24.97 15.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.666 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.24 49.45 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.93 149.05 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.86 131.14 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.77 174.21 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.62 134.65 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.729 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.414 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -89.78 -63.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -146.5 157.22 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 111.336 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -137.1 106.55 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.25 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 15.0 p -99.01 151.26 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.416 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -111.4 110.26 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.15 -169.46 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.96 -80.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -167.61 149.53 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.109 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 3' ' ' ASP . . . -75.02 -37.96 61.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 1.1 t70 84.82 -21.13 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.702 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.82 -40.17 55.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.64 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -87.27 -50.94 0.43 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.953 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 49.3 Cg_exo -55.79 136.07 72.63 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 61.21 94.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.97 163.72 4.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.24 179.72 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.548 2.165 . . . . 0.0 112.198 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 m -148.39 155.71 42.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.08 -167.68 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.704 2.27 . . . . 0.0 112.284 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.65 119.51 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.03 156.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.93 99.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -176.87 169.4 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.17 162.08 56.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.26 161.85 43.31 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.151 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.84 78.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.13 173.14 6.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -136.35 151.36 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.45 -169.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.37 128.23 44.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.64 -71.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -60.39 111.09 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -106.24 89.74 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.47 -45.12 4.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -176.5 152.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 138.04 49.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -176.57 142.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -77.87 85.74 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tp -165.03 170.45 15.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 61.89 77.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -148.39 -47.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.72 -48.3 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.68 -173.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -103.97 91.11 3.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.66 -167.65 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.49 2.127 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -167.33 -168.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.54 -174.61 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -111.56 98.02 38.99 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 174.44 8.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.452 2.101 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 43' ' ' MET . 9.0 tp -109.88 155.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.403 ' N ' HG13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -54.12 145.68 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.26 -146.18 4.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.36 -141.35 4.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.82 31.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.11 111.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.44 -166.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.94 64.21 33.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 37.2 Cg_exo -61.21 -19.85 65.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.721 2.281 . . . . 0.0 112.421 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -94.39 78.8 3.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -92.48 17.15 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.44 -30.85 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.82 -51.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 29' ' ' LEU . 24.1 m-85 -59.25 -44.95 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.16 -54.82 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -56.82 -45.74 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.75 -40.87 88.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.11 -50.03 74.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.93 -51.97 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.19 -54.37 44.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' NH2' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.58 -34.98 76.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.94 -54.15 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HA ' ' CE2' ' A' ' 129' ' ' PHE . 48.2 t -51.33 -54.14 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 12.9 ttm180 -65.23 -31.76 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.15 -43.02 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -92.39 -15.91 26.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.05 -18.9 26.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.468 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -86.99 -34.49 19.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 111.307 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.484 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.31 14.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.82 -166.39 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.331 . . . . 0.0 110.955 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.03 -162.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.9 88.86 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.04 -178.01 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.6 128.74 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.19 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.52 149.52 38.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.0 m -105.13 -36.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 175.85 164.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -92.0 144.57 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.478 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.23 -15.31 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -147.0 154.01 40.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -153.42 129.0 10.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.1 159.64 41.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -139.83 136.24 33.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.237 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -136.64 160.02 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.39 122.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.42 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 m -159.39 97.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.408 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 33.5 m 60.82 27.0 16.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.684 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.57 -111.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.123 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.7 mmt -146.99 114.67 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.478 ' HE2' ' CG ' ' A' ' 116' ' ' TRP . 2.2 ttm -111.82 146.66 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -135.56 119.93 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.183 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.2 m-85 -103.36 103.87 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.401 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.68 141.63 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.46 129.99 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.9 160.82 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.31 131.72 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.423 ' HB ' ' CE2' ' A' ' 111' ' ' TYR . 15.5 t -119.75 151.35 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 111.349 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.11 143.88 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.782 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -143.38 105.55 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.97 29.71 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.273 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.3 -27.3 17.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.573 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -67.94 109.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -96.71 133.09 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.5 mttp -156.41 173.0 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp -114.83 118.93 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.68 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 8.8 m-85 -119.24 146.73 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 146.72 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.754 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 129' ' ' PHE . . . -138.24 134.91 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.4 ptpt -117.49 118.3 31.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.929 0.395 . . . . 0.0 110.983 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.2 t -106.5 150.13 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.478 ' CG ' ' HE2' ' A' ' 95' ' ' MET . 26.6 t90 -128.79 142.26 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.037 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -151.68 125.92 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.2 mp0 -100.37 174.65 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.7 p -114.76 -37.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -82.96 -21.17 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 tpp -97.52 -25.36 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.27 40.31 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.04 143.9 51.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 129.24 14.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -162.72 175.11 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -85.85 139.26 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -97.83 -55.69 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.257 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.78 154.97 42.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.29 0.567 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.497 ' CD1' ' CZ ' ' A' ' 70' ' ' TYR . 4.1 t80 -135.92 108.53 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.995 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.4 p -98.97 151.48 20.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.6 p90 -112.23 110.3 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.76 -175.47 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.53 -68.47 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -176.71 161.82 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.08 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.786 0.244 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -139.29 104.19 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -173.99 164.65 2.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.29 179.85 2.69 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.578 2.186 . . . . 0.0 112.275 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.47 156.36 77.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.93 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.607 2.205 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.39 124.08 51.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.643 ' HB2' ' OE1' ' A' ' 125' ' ' GLN . . . -75.68 -179.27 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.07 -68.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -177.29 -174.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -107.81 163.86 16.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.718 0.294 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.71 168.99 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -174.93 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.27 175.53 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -105.72 87.47 2.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.51 164.91 32.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.549 2.166 . . . . 0.0 112.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.89 158.51 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 164.08 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.18 141.98 3.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.04 -167.58 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.98 62.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -177.57 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.31 111.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -176.12 69.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 -25.29 59.12 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.239 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 59.41 80.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.44 -36.81 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.36 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -93.91 17.36 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.39 -30.66 66.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.87 -42.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.654 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -63.61 -54.65 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.045 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.3 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.5 pttt -56.31 -40.58 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.95 -45.32 86.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.46 -46.62 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 115' ' ' VAL . 7.5 tp -64.93 -53.02 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.95 -54.36 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.03 -37.21 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.16 -54.83 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.78 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.05 -53.65 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.0 t -52.9 -54.98 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -64.04 -29.74 70.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.24 -43.15 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.18 -19.09 25.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.5 m120 -84.82 -25.62 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.92 -35.64 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.244 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.12 -43.16 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.441 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.75 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.84 169.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.347 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.53 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.74 89.37 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.3 132.95 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -82.68 149.48 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.7 m -103.8 -37.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.5 ptt180 174.8 165.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.843 HG12 ' CG1' ' A' ' 100' ' ' VAL . 7.5 m -88.29 144.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.271 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.855 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -120.34 -13.48 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.638 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.855 ' HG3' HG13 ' A' ' 84' ' ' VAL . 24.2 mttt -147.9 151.04 35.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.911 0.386 . . . . 0.0 111.116 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -146.61 129.71 16.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 151.99 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 7.2 mm-40 -112.02 151.4 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.28 145.71 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.76 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -113.96 120.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.0 m -161.29 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 42.3 m 59.11 28.19 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.92 -111.71 0.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.305 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.68 114.61 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.007 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.473 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.7 ttm -112.91 131.05 55.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -116.03 118.81 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 111.25 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -103.39 101.35 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -122.49 141.55 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.348 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.93 HG22 HD11 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.02 139.31 41.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.435 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.843 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -139.49 160.86 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 111.382 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 81' ' ' VAL . 13.7 mt-10 -89.41 133.51 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.394 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.802 HG11 HD22 ' A' ' 78' ' ' LEU . 20.6 t -124.0 148.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.94 0.4 . . . . 0.0 111.458 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -126.67 147.8 49.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.744 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -151.37 108.41 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.02 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.96 29.53 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.14 -27.51 16.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 109.53 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.9 tptm -104.28 136.43 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -160.35 175.62 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 99' ' ' THR . 10.5 tp -115.01 121.24 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -121.55 141.28 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.06 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.585 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.0 OUTLIER -93.41 145.45 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.1 131.09 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.6 ptpt -116.26 115.64 26.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 62' ' ' LEU . 21.9 t -106.59 150.15 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.473 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 27.6 t90 -125.85 141.51 51.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.14 126.42 9.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.467 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.5 mp0 -99.93 174.28 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.995 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -116.39 -38.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -82.54 -21.08 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 ttt -97.64 -25.33 15.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.706 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.19 52.08 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.17 150.42 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.8 132.65 12.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.643 ' OE1' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -162.76 175.28 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.707 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.5 tt -87.9 135.04 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 4.3 mp0 -93.68 -58.01 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -145.76 156.73 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 111.686 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.823 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.9 t80 -137.86 109.23 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.181 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.97 151.25 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.065 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.9 p90 -111.47 110.06 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.45 HD12 ' HG ' ' A' ' 110' ' ' LEU . 6.0 mt -87.43 -170.09 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.65 -78.87 0.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -167.03 149.57 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.805 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.786 0.244 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 107.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 154.7 1.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 168.49 21.42 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.565 2.176 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -133.33 156.55 79.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.27 -168.24 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.79 -169.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.12 -174.7 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.18 -177.42 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.44 -176.84 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -90.67 160.12 39.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.742 0.306 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.27 145.18 59.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.609 2.206 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 144.14 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.69 -169.3 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -138.41 87.52 15.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 167.39 25.17 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.555 2.17 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.38 158.47 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -179.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.8 166.7 24.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.16 -165.4 27.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CG ' ' A' ' 89' ' ' GLN . 16.1 mm -81.32 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -170.16 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.99 132.12 53.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.22 52.55 3.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.5 Cg_endo -59.15 -73.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.519 2.146 . . . . 0.0 112.343 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 54' ' ' GLU . 1.4 tt 58.69 56.29 4.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -59.42 -29.46 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -84.37 57.71 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.742 ' HB2' HD23 ' A' ' 51' ' ' LEU . 5.2 tm-20 -100.12 17.26 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.35 -29.58 66.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.89 -52.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.593 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -60.23 -43.16 96.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -69.72 -53.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.612 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.4 ptmt -58.15 -45.58 87.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.23 -46.57 83.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.52 -42.47 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.45 -53.75 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.78 -54.34 45.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -37.94 80.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -58.93 -61.93 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.879 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -55.76 -54.08 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.274 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -51.31 -51.93 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -28.67 68.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.03 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.768 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -88.79 -19.22 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.685 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.6 m120 -84.81 -25.91 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.85 -35.15 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -51.69 -43.49 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.84 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.747 0.308 . . . . 0.0 111.373 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 168.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.402 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.21 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.307 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.17 86.36 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -105.47 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -137.96 133.3 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.241 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.99 149.61 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.626 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' HE3' ' A' ' 108' ' ' LYS . 10.4 m -103.76 -37.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt85 174.38 165.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.846 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.6 m -89.63 142.06 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.238 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.879 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -116.86 -15.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.451 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.879 ' HG3' HG13 ' A' ' 84' ' ' VAL . 10.2 mttm -148.22 151.69 35.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -152.96 137.47 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.1 153.47 35.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.9 152.04 25.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.437 ' CG ' HD13 ' A' ' 46' ' ' ILE . 7.3 mt-30 -148.42 154.06 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.718 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.16 116.79 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.274 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.0 101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 48.5 m 60.85 25.77 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.93 -112.61 0.57 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.223 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -144.89 114.72 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -113.9 128.24 56.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.663 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -114.34 123.21 48.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.125 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 5.1 m-85 -110.0 108.96 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -131.73 141.69 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 0.0 111.199 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.959 HG22 HD11 ' A' ' 110' ' ' LEU . 2.3 m -107.7 135.32 49.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.846 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -136.55 159.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 111.325 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.1 mt-10 -89.35 135.99 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.529 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 78' ' ' LEU . 16.2 t -126.81 150.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -126.68 147.58 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.753 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -145.99 106.8 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.039 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.01 29.82 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.64 -27.8 15.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -70.38 109.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 81' ' ' VAL . 7.0 tptm -99.02 139.86 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 16.3 mttm -161.51 173.05 15.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.6 tp -114.61 120.67 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -120.78 146.72 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.59 143.46 30.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -133.97 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.9 ptpt -123.73 117.41 24.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.72 150.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.5 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.4 t90 -127.21 144.38 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -154.54 124.65 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.468 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.9 mp0 -99.77 175.31 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.54 -37.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.411 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -83.57 -20.88 32.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.41 -24.97 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 110.704 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.49 42.1 9.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.21 139.38 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.21 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -162.79 175.31 11.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.879 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.95 137.58 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.514 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -93.29 -61.01 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -146.02 157.19 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 111.378 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.84 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.8 t80 -138.63 106.89 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.267 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.06 151.22 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -108.63 109.73 21.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.3 mt -87.52 -179.42 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.03 -72.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.51 160.23 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.964 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HB2' HE22 ' A' ' 89' ' ' GLN . 56.6 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.811 0.255 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -129.11 100.33 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -176.16 165.46 1.75 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 179.84 2.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.616 2.211 . . . . 0.0 112.242 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.444 HG21 ' CZ3' ' A' ' 116' ' ' TRP . 4.4 m -133.39 156.04 80.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.89 -167.97 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.775 2.316 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.5 119.32 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.51 171.8 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -177.59 98.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.53 179.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.773 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.25 168.32 17.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.773 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.9 Cg_endo . . . . . 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.736 0.303 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 177.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.523 2.149 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.5 -174.53 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.72 169.54 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -105.46 87.9 2.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.35 166.0 28.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.535 2.157 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.93 158.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.16 173.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.82 144.57 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.24 -164.76 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.575 HD11 ' OE1' ' A' ' 89' ' ' GLN . 25.5 mm -77.68 69.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -177.5 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -74.47 109.49 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.571 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -175.45 63.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.98 -25.99 23.75 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.185 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.887 HD12 ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 59.67 63.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.69 -29.31 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 p-10 -83.99 58.19 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.693 ' HG2' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -99.37 17.21 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.41 -30.8 67.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.08 -47.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.553 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -65.95 -40.45 91.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.03 -50.83 37.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.62 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.51 -42.23 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.85 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -57.28 -45.24 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -64.15 -52.94 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.52 -54.31 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -35.27 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.25 -58.49 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.13 -53.83 53.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.0 t -51.4 -51.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -28.04 67.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.63 -41.85 92.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.639 ' OH ' HD21 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -89.8 -19.18 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.639 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.86 -27.06 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.519 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.88 -36.04 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -51.44 -42.95 61.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.372 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -176.69 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.339 . . . . 0.0 111.227 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.26 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.272 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.75 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.72 44.21 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.042 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.995 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -58.89 -178.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.88 134.01 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.313 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -81.62 149.46 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.695 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.516 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -104.54 -37.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 26.8 ptt-85 176.24 164.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.763 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -89.28 142.35 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -118.49 -15.14 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.678 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.905 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.2 mttt -148.04 156.01 42.14 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.938 0.399 . . . . 0.0 111.255 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.887 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.2 130.53 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 155.39 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 2.7 mm-40 -116.94 157.37 25.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.575 ' OE1' HD11 ' A' ' 46' ' ' ILE . 5.9 tt0 -159.19 149.49 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.0 t -111.62 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.32 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.3 m -160.31 100.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.934 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.9 m 60.81 25.13 15.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.15 -112.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -145.46 114.71 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.71 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.8 ttm -111.29 145.59 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 115' ' ' VAL . 0.4 OUTLIER -138.06 118.45 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 3.8 m-85 -101.45 103.82 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.414 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.84 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.05 141.64 47.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 111.375 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.921 HG22 HD11 ' A' ' 110' ' ' LEU . 1.2 m -111.56 132.91 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.432 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.763 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -134.92 161.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 111.331 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 81' ' ' VAL . 10.5 mt-10 -89.34 133.67 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.464 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.995 HG11 HD22 ' A' ' 78' ' ' LEU . 13.2 t -123.88 151.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.473 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -126.67 143.82 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.754 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -143.56 104.02 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.18 29.68 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.36 -27.02 18.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.568 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -69.18 109.52 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.516 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.5 tptm -98.0 133.32 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 20.2 mtpt -156.55 171.0 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.08 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.7 tp -113.19 119.88 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.555 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.3 m-85 -120.08 145.16 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.433 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -99.15 146.01 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.861 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.86 130.24 35.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 5.2 ptpt -113.33 114.47 26.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.443 ' HB ' ' CD2' ' A' ' 96' ' ' HIS . 13.2 t -106.67 150.07 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.71 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.7 t90 -125.81 142.09 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.75 124.19 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.464 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.4 mp0 -99.21 174.3 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.03 -37.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.33 -20.37 34.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -24.47 15.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.17 48.92 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.89 148.45 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.81 128.5 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.79 173.23 14.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.8 tt -87.15 136.55 32.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.698 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -93.83 -55.09 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.249 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -145.32 157.01 44.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 0.0 111.705 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.861 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.8 t80 -136.42 109.54 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.4 p -98.98 151.29 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 111.059 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 23.6 p90 -111.23 110.28 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.419 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.4 mt -87.81 -169.97 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.0 -68.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -176.62 160.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 1.08 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.826 0.261 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.14 99.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -170.21 160.55 6.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 135.32 30.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.572 2.181 . . . . 0.0 112.291 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -108.87 156.49 38.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.2 Cg_endo -74.53 -168.21 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.609 2.206 . . . . 0.0 112.372 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.69 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 169.66 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.83 93.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -168.84 158.0 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.87 156.99 79.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.4 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.524 2.149 . . . . 0.0 112.299 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.562 0.22 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 52.2 Cg_endo -69.17 -167.63 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.435 2.09 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -164.02 -167.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -148.3 -178.5 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -132.43 90.95 32.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.61 166.84 24.54 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -66.77 158.96 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.93 118.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.71 -156.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.53 76.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -171.16 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.5 110.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 86' ' ' ALA . . . -136.64 50.49 3.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 82.4 Cg_endo -77.59 -30.89 3.64 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.113 . . . . 0.0 112.255 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 56.9 tp 56.73 96.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -85.1 -21.33 29.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 5.5 p-10 -94.65 43.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -93.76 17.05 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -65.19 -51.29 61.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.03 -54.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -67.52 -42.9 82.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 53' ' ' ASN . 1.2 m-20 -69.81 -48.09 60.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -59.89 -41.9 92.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.86 -44.26 77.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.4 -45.31 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 115' ' ' VAL . 7.9 tp -65.87 -53.15 43.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.805 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.99 -54.31 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -37.03 84.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.47 -56.42 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.51 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 63' ' ' ALA . 41.8 t -51.79 -55.04 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -64.4 -29.35 70.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.57 -42.36 95.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.62 -19.26 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.682 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.6 m120 -84.65 -25.67 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.605 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.95 -35.49 25.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 111.243 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -51.58 -43.47 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.435 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.83 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.91 170.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.347 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.82 87.13 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.815 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.5 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -138.55 134.87 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.84 149.5 27.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.9 m -103.38 -36.87 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 175.52 164.66 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.782 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.5 m -90.43 141.28 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.784 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -114.33 -19.53 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.346 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.784 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.0 mttt -145.4 153.64 41.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 51' ' ' LEU . . . -153.38 122.15 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 151.58 48.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -110.5 150.61 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.974 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 10.6 tt0 -155.06 153.56 31.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 t -118.74 121.47 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.281 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.563 HG21 ' SD ' ' A' ' 95' ' ' MET . 7.1 m -159.36 98.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.404 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 28.9 t 60.26 27.63 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.32 -113.11 0.58 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.4 mmt -143.99 114.72 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.75 146.59 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.749 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.483 ' CE1' ' HB3' ' A' ' 98' ' ' LEU . 8.1 t-80 -138.0 120.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -105.26 101.74 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.23 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -118.5 141.58 48.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.365 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.945 HG22 HD11 ' A' ' 110' ' ' LEU . 1.9 m -109.04 129.36 55.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.782 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -131.32 160.39 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 111.349 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.9 mt-10 -89.34 134.25 34.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.815 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -123.37 151.14 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 0.0 111.505 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -129.95 149.96 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -154.55 110.03 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.72 29.62 9.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.315 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.0 -27.73 16.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -70.3 109.51 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.8 tptm -106.28 141.13 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 33.4 mttt -163.58 175.86 10.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.074 HD22 ' HB2' ' A' ' 135' ' ' ALA . 18.1 tp -114.2 120.09 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.615 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.6 m-85 -121.56 146.65 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.1 OUTLIER -100.01 144.19 29.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.48 132.66 39.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.207 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 4.4 ptpt -115.68 115.25 26.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 62' ' ' LEU . 21.5 t -106.59 150.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.274 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -125.97 142.77 51.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -152.01 122.06 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.7 mp0 -98.29 174.09 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.52 -37.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.404 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.27 -20.75 33.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -25.01 15.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.36 45.93 6.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.09 139.23 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 126.03 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -162.71 173.4 13.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.5 tt -87.25 139.92 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -97.37 -54.34 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.224 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -145.52 155.98 43.42 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.296 0.57 . . . . 0.0 111.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.8 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.5 t80 -137.42 107.83 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 12.1 p -98.9 151.27 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p90 -109.69 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.5 mt -88.08 -169.6 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.99 -71.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -176.9 160.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 1.074 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.786 0.244 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 39.59 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -140.36 162.44 49.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -179.9 3.28 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -127.51 156.69 74.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.3 Cg_endo -74.35 -168.21 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.84 -169.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.17 171.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.87 -176.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 1.0 OUTLIER -154.77 -174.42 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.52 155.12 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.578 2.185 . . . . 0.0 112.276 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 172.18 13.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.582 2.188 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.75 162.55 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 -171.95 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 145.65 31.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.48 -170.38 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 tt -115.75 158.66 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.44 149.36 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.18 166.58 22.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.88 -155.41 31.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.714 HD13 ' HG2' ' A' ' 89' ' ' GLN . 16.5 mm -94.89 75.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -177.31 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.07 127.56 32.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -142.72 52.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 75.9 Cg_endo -77.49 -33.39 2.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.553 2.168 . . . . 0.0 112.409 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 86' ' ' ALA . 2.3 tt 56.88 76.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.84 -56.17 25.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.06 67.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -105.63 17.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -58.81 -30.87 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.61 -49.95 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -64.79 -37.49 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.01 -50.65 39.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.678 ' HE3' HG22 ' A' ' 83' ' ' VAL . 11.5 ptmt -60.24 -38.42 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.95 -56.01 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.55 -42.14 87.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -61.78 -53.58 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.87 -54.28 46.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.11 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -58.6 -59.09 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.52 -53.5 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.5 t -51.31 -50.98 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -28.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.7 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -41.63 96.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -90.34 -20.06 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.687 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.94 -23.8 28.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -83.41 -35.63 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.393 -179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.82 -45.67 59.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.85 -32.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.593 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.15 173.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.239 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.59 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.79 80.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -103.16 -176.88 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.713 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -138.98 140.58 38.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.33 149.44 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 28.2 m -104.18 -38.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 9.3 ptm180 178.13 165.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.817 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.773 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.53 143.83 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.802 HG13 ' HG3' ' A' ' 85' ' ' LYS . 7.7 p -117.85 -17.56 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.802 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.1 mttt -146.33 156.13 43.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.188 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.72 125.76 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 148.51 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -116.8 127.47 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.714 ' HG2' HD13 ' A' ' 46' ' ' ILE . 35.5 mt-30 -136.62 153.51 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -113.06 122.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -161.01 99.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.403 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.3 m 60.66 25.52 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.772 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.71 -112.37 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.186 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -145.26 114.67 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.8 ttm -117.94 129.79 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -118.23 120.04 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.242 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.559 ' CD1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -99.07 94.43 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.65 141.59 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.419 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 110' ' ' LEU . 2.7 m -113.32 135.17 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.284 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.773 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -135.68 161.47 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.38 134.13 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 78' ' ' LEU . 13.9 t -123.6 154.6 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -130.92 146.36 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.773 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -145.62 106.82 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.04 29.72 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.267 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.56 -27.7 15.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -69.79 109.55 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -99.26 140.41 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 mttt -162.21 173.41 14.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.7 tp -114.15 119.77 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.8 m-85 -120.39 143.03 48.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.661 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.01 144.72 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.12 130.16 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.2 ptpt -119.43 117.76 29.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.67 150.11 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.5 t90 -125.49 143.32 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 22.6 tt0 -153.28 123.71 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.75 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.6 mp0 -100.26 174.45 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.38 -37.84 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.7 p90 -82.56 -21.17 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.61 -25.04 15.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.69 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.35 45.08 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -132.45 140.52 48.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.55 127.4 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -162.7 173.78 13.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.0 tt -77.99 139.9 39.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.74 -60.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -146.23 157.13 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.322 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.882 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.9 t80 -137.67 109.98 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.233 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.8 p -98.95 150.84 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.114 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.447 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 17.0 p90 -109.74 105.85 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.482 HD12 ' HG ' ' A' ' 110' ' ' LEU . 1.9 mt -88.54 175.08 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.73 -74.8 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -173.55 158.84 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.975 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.812 0.255 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tttp 61.32 86.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -176.8 158.29 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.21 -179.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.579 2.186 . . . . 0.0 112.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -141.56 156.34 66.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.6 Cg_endo -74.8 -168.1 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.47 119.57 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.92 156.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.96 83.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.75 148.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -110.48 158.58 35.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.5 Cg_endo . . . . . 0 C--N 1.344 0.291 0 C-N-CA 122.533 2.156 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 170.1 17.32 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.55 2.167 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -176.53 153.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -88.08 149.34 45.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -168.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.561 2.174 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -121.06 134.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 ptp 45.58 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.352 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.778 ' HA3' HG23 ' A' ' 90' ' ' VAL . . . -145.02 167.31 27.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.22 131.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' OE1' ' A' ' 89' ' ' GLN . 27.3 mm -96.01 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.91 31.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -123.29 -67.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 56.43 52.96 7.14 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -76.68 -44.95 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.394 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 86' ' ' ALA . 6.1 tt 52.01 73.02 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -59.67 -54.54 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.16 73.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' HB3' HD23 ' A' ' 51' ' ' LEU . 8.5 pt-20 -105.61 17.13 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -59.0 -30.71 68.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.4 -46.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -66.5 -35.06 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.77 -50.35 25.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -60.42 -41.27 93.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.26 -44.55 68.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.42 -45.66 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.506 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -67.46 -53.19 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.823 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -50.75 -54.27 24.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.83 -38.84 92.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.719 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.54 -53.57 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.712 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.27 -54.15 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.3 t -52.54 -52.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -66.46 -28.71 68.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.83 -42.51 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -89.28 -18.8 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.749 ' OD1' HD11 ' A' ' 78' ' ' LEU . 8.8 m120 -85.51 -26.59 26.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.563 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -81.31 -35.61 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.243 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -42.13 60.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -176.17 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.299 . . . . 0.0 111.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.06 169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.52 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 88.75 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.91 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.49 -176.41 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -138.83 133.17 31.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.46 149.51 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.5 m -104.1 -36.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt180 175.47 164.78 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.0 m -89.86 141.46 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.907 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -116.23 -14.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.487 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.907 ' HG3' HG13 ' A' ' 84' ' ' VAL . 19.0 mttt -147.68 155.88 42.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.48 127.42 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -135.14 158.72 43.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.92 150.39 43.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 46' ' ' ILE . 3.0 tp60 -156.47 149.67 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.778 HG23 ' HA3' ' A' ' 44' ' ' GLY . 20.2 t -110.69 122.62 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.8 m -160.23 97.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.4 m 60.5 27.24 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.27 -112.1 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.267 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.42 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.4 mmt -147.82 114.73 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.969 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.426 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 7.2 ttm -114.95 141.72 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.22 127.61 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.163 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -108.65 95.72 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.506 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.51 141.72 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.405 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.954 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -111.61 135.23 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.392 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.871 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.9 m -137.17 158.49 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.329 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.34 132.74 34.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 78' ' ' LEU . 21.8 t -119.3 151.74 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.987 0.422 . . . . 0.0 111.534 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.44 146.94 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.586 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -137.75 86.66 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.57 31.44 7.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.424 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.67 -39.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.36 109.42 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 8.8 tptm -107.88 140.35 41.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 13.9 mttp -165.24 176.09 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 99' ' ' THR . 11.7 tp -115.94 121.76 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.1 m-85 -121.78 142.67 49.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.534 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -93.13 141.15 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.89 130.05 39.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HZ1' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -118.25 118.02 30.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.71 150.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.6 t90 -126.58 141.84 51.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.45 126.02 9.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.752 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.89 175.12 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.75 -37.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -83.87 -21.2 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -25.2 15.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.21 41.89 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.07 140.98 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 130.32 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -162.68 173.92 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.274 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.712 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.5 tt -80.9 133.76 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.663 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -88.21 -63.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -146.55 157.21 43.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.149 0.499 . . . . 0.0 111.344 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.765 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 11.4 t80 -135.82 107.45 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.302 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.53 HG23 ' HZ1' ' A' ' 114' ' ' LYS . 17.8 p -98.94 150.02 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.025 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 34.5 p90 -106.41 111.1 23.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.89 -169.87 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -103.57 83.3 0.41 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 47.29 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.707 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.059 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.251 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG3' HG12 ' A' ' 91' ' ' VAL . 0.1 OUTLIER 60.94 79.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 149.43 0.85 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.94 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -148.78 156.57 41.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.9 Cg_endo -74.36 -168.16 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.6 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.12 150.57 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -176.85 102.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.63 167.99 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.55 154.16 81.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.555 2.17 . . . . 0.0 112.313 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.722 0.296 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.0 -176.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -174.38 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.85 -179.6 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -128.65 88.35 52.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' A' ' 96' ' ' HIS . 55.0 Cg_endo -69.78 160.59 49.14 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.567 2.178 . . . . 0.0 112.312 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.2 tp -92.9 154.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.574 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -55.35 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -177.71 20.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.72 -172.15 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.6 mm -81.62 78.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -177.55 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.74 146.42 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -163.11 52.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.4 Cg_endo -77.23 -32.21 3.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.739 HD22 ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER 57.28 89.34 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -79.59 -30.96 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -86.66 66.22 9.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.739 ' CG ' HD22 ' A' ' 51' ' ' LEU . 35.7 mt-10 -104.8 17.09 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -62.4 -31.28 71.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.67 -49.74 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.4 -37.18 80.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.61 -46.33 54.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.5 ptmt -63.53 -41.79 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.02 -49.21 59.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -57.21 -43.45 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.779 HD21 HD22 ' A' ' 98' ' ' LEU . 7.4 tp -65.71 -52.97 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.74 -54.38 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -36.35 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.74 -57.33 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.878 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.12 -54.1 48.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.7 t -51.36 -53.2 16.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -66.95 -29.21 69.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.1 p90 -91.4 -20.1 22.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.678 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.2 m120 -84.92 -23.01 29.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.701 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.98 -35.95 23.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.334 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -50.63 -46.03 58.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.49 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.87 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.507 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.02 173.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.897 0.38 . . . . 0.0 111.274 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.08 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.208 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.09 86.45 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.78 -177.49 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -138.61 133.09 32.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.8 149.52 29.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.534 HG21 ' HE2' ' A' ' 108' ' ' LYS . 11.2 m -104.18 -36.61 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.3 ptt85 176.63 163.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.839 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.2 m -91.34 141.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.345 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.2 p -115.84 -17.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.3 mttt -147.06 156.72 43.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -162.02 122.59 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -130.39 154.36 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -125.14 150.24 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -157.46 160.04 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 t -108.52 123.5 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.395 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' SD ' ' A' ' 95' ' ' MET . 12.5 m -158.94 95.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 14.1 m 61.25 26.73 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.12 -111.69 0.55 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.092 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.2 mmt -146.31 114.72 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 1.7 ttt -111.96 146.14 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.764 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 41' ' ' PRO . 8.8 t60 -138.0 117.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.4 m-85 -102.53 103.91 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.779 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.36 141.69 48.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.997 0.427 . . . . 0.0 111.526 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.958 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.68 129.79 55.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.321 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.839 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -133.13 161.15 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 111.397 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.1 mt-10 -89.31 130.67 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.423 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 78' ' ' LEU . 17.2 t -120.5 149.59 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -127.57 144.96 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.649 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.38 109.68 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.01 29.41 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.8 15.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -67.57 109.5 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.534 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.88 132.11 47.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -158.12 173.56 16.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.153 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.0 tp -114.87 121.39 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.599 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.0 m-85 -120.84 147.43 45.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.9 OUTLIER -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.31 131.45 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 6.9 ptpt -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.63 150.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.257 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.715 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.3 t90 -125.62 142.79 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 121.19 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.84 174.04 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.76 -38.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -82.55 -21.25 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -25.2 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.4 46.53 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -132.42 137.97 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.44 125.26 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.404 ' OE1' ' CE1' ' A' ' 123' ' ' PHE . 1.9 pt20 -162.71 174.95 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.878 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.4 tt -87.55 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -94.21 -59.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -141.62 157.17 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.23 0.538 . . . . 0.0 111.758 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.1 t80 -136.81 109.1 7.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.086 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -98.97 151.28 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.073 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 31.2 p90 -111.1 110.98 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.8 mt -87.33 -170.17 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.32 -68.01 1.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -176.08 161.23 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.602 ' O ' HG11 ' A' ' 91' ' ' VAL . 57.6 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.825 0.261 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -116.81 106.21 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -174.45 150.52 1.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.86 179.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -140.67 155.82 69.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.7 -167.99 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.59 119.7 12.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.56 161.5 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.66 177.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 72.99 86.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -56.53 167.68 0.94 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.196 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.179 . . . . 0.0 112.326 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 155.29 70.82 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.464 2.109 . . . . 0.0 112.302 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -174.28 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.42 178.6 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -112.99 88.51 12.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.3 170.68 15.46 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.545 2.163 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -114.94 158.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -176.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.97 138.3 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -163.89 0.12 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.85 HD12 ' NE2' ' A' ' 89' ' ' GLN . 16.9 mm -87.88 53.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -174.12 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.69 118.98 5.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -165.73 63.27 0.87 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.25 -27.52 38.6 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.462 2.108 . . . . 0.0 112.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 57.67 69.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.54 -31.98 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.2 52.58 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.19 17.17 13.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -58.49 -30.46 67.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.04 -44.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.58 -43.35 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -67.63 -52.32 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -57.7 -41.72 82.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.54 -43.87 79.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.78 -45.72 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -66.26 -53.59 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.803 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.09 -54.3 31.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.23 -38.48 89.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.677 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.82 -57.29 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.89 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.14 -53.94 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 63' ' ' ALA . 47.4 t -51.44 -51.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 16' ' ' ALA . 11.4 ttp180 -67.02 -28.22 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -42.61 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.08 -19.17 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.09 -26.08 27.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.24 -35.24 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.236 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -51.76 -43.28 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.415 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.63 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.376 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.41 169.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.05 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.97 90.47 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.69 HD11 ' OD1' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -107.56 -176.21 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.17 133.01 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -83.24 149.46 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.692 HG21 ' NZ ' ' A' ' 108' ' ' LYS . 30.3 m -104.69 -35.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.265 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.655 ' HG2' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER 174.45 163.72 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.859 HG12 ' CG1' ' A' ' 100' ' ' VAL . 8.5 m -88.33 141.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.914 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -116.38 -13.87 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.569 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.914 ' HG3' HG13 ' A' ' 84' ' ' VAL . 14.1 mttm -148.12 156.86 43.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.785 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.59 130.63 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -136.97 149.99 47.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -112.5 133.81 54.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.85 ' NE2' HD12 ' A' ' 46' ' ' ILE . 1.2 mt-30 -134.29 157.93 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -124.06 118.05 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 6' ' ' PRO . 4.2 m -159.94 102.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 49.2 m 58.91 23.62 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.84 -115.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.179 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.3 mmt -144.82 114.69 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.452 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.04 143.44 43.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.24 116.89 18.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.224 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.76 97.32 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.408 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.504 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.81 141.62 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.31 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.894 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.02 138.27 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.354 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.859 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.07 156.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.284 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.41 124.75 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 78' ' ' LEU . 20.3 t -113.91 152.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.592 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -125.32 145.34 50.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -131.01 86.65 2.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.84 29.51 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.02 -38.29 2.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.85 109.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.692 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 3.7 tptt -99.96 139.33 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -163.87 174.02 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 99' ' ' THR . 13.9 tp -116.97 121.55 41.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.667 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.4 m-85 -120.59 144.08 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.93 137.12 34.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -128.34 126.97 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.457 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 7.0 ptpt -115.22 116.14 27.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.864 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.7 p -106.59 150.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.466 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.8 t90 -126.15 141.71 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.08 129.08 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.47 HE22 ' CB ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -105.35 176.71 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.1 -36.57 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.0 p90 -84.22 -21.97 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -24.73 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.723 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.61 41.74 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.47 ' CB ' HE22 ' A' ' 118' ' ' GLN . 1.8 m-85 -128.05 138.13 52.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 127.45 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -162.71 171.82 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.89 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -78.51 136.56 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.748 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -91.67 -61.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.38 157.23 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.099 0.476 . . . . 0.0 111.418 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.796 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.3 t80 -137.93 105.82 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.262 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.2 p -99.06 150.88 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 36.7 p90 -106.09 111.23 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.51 -170.66 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.68 82.96 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 47.27 -175.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.966 0.413 . . . . 0.0 111.595 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.791 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.805 0.252 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tttp 60.65 84.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 149.2 0.87 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 177.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.454 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -148.87 156.59 40.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.8 Cg_endo -74.46 -168.17 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.188 . . . . 0.0 112.367 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.85 119.71 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.24 167.28 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -176.75 100.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -176.51 166.67 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -135.09 160.42 68.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.548 2.165 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 172.46 12.84 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.559 2.173 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.55 165.23 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.76 -175.24 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -102.08 148.93 36.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.97 -174.92 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.585 2.19 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.16 158.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 129.0 39.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.8 -161.67 27.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.24 -176.12 14.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.599 HD11 ' OE1' ' A' ' 89' ' ' GLN . 25.1 mm -75.38 79.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.23 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.27 -177.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -172.88 64.99 0.34 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 25.6 Cg_exo -62.35 -65.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 54.93 53.92 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -58.14 -30.71 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -83.87 58.37 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.61 17.14 18.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -58.52 -30.97 67.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.37 -49.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.79 -40.69 88.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -69.05 -49.43 57.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HE3' HG22 ' A' ' 83' ' ' VAL . 8.7 ptmt -60.5 -40.99 93.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -65.77 -50.25 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.55 -43.47 89.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.801 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -61.66 -53.62 53.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.2 -54.35 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -35.71 77.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.61 -58.17 9.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.761 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.962 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.42 -54.62 44.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.4 t -52.11 -55.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -63.59 -29.25 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -64.94 -43.06 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -89.55 -15.51 32.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.519 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.6 m120 -86.48 -33.6 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.432 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.93 -35.94 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.303 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -43.64 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.448 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.87 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.405 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.23 171.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.12 -168.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.327 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.07 40.49 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -54.61 171.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -136.89 132.48 34.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.92 149.44 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.733 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG23 ' HG2' ' A' ' 82' ' ' ARG . 9.3 m -104.31 -37.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 176.85 164.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -88.54 142.35 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.939 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -118.17 -14.98 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.564 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.939 ' HG3' HG13 ' A' ' 84' ' ' VAL . 12.0 mttt -147.96 156.32 42.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.893 0.378 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.04 130.1 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.035 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 152.76 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -111.77 159.76 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -164.5 142.87 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.732 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -107.09 120.52 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 90' ' ' VAL . 6.8 m -159.32 97.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m 60.6 26.77 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.35 -113.03 0.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -144.57 114.71 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.599 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -112.41 145.0 40.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -138.02 116.66 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.198 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.7 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.244 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.801 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.96 141.65 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.487 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.978 HG22 HD11 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -109.7 134.42 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.776 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -135.56 161.61 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.396 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.6 mt-10 -89.24 131.14 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.235 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 78' ' ' LEU . 18.3 t -124.62 143.03 39.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 0.0 111.706 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -120.09 148.76 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.552 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -148.08 105.08 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.99 30.33 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.96 -27.47 17.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -68.88 109.57 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 81' ' ' VAL . 1.3 tptp -97.23 132.12 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.3 mttm -156.79 172.27 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.7 tp -115.27 120.92 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 6.9 m-85 -120.22 143.81 48.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -98.17 147.97 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.47 133.03 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 8.0 ptpt -115.1 116.77 28.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.49 150.14 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.176 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.599 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -127.47 141.78 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -150.79 121.87 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -97.66 173.48 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.26 -38.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 42.4 p90 -82.44 -21.18 35.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -25.16 14.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.762 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.19 53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.0 139.78 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.07 126.43 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -162.79 173.35 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 111.206 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.962 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -86.18 139.95 30.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.757 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 13.5 mp0 -98.51 -54.78 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -145.59 155.86 43.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.332 0.587 . . . . 0.0 111.79 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.0 t80 -136.03 109.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.003 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.9 151.36 20.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.8 p90 -112.2 109.89 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.7 mt -87.58 -169.88 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.23 -70.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -176.36 158.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.98 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.464 -0.216 0 CA-C-O 120.827 0.261 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.42 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -177.24 151.84 0.94 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.2 179.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 112.304 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.97 156.45 79.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.67 -168.11 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.623 2.216 . . . . 0.0 112.289 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.2 119.72 29.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.42 142.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -177.0 79.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -169.37 161.89 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -109.7 164.18 15.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.1 Cg_endo . . . . . 0 C--N 1.345 0.352 0 C-N-CA 122.6 2.2 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.661 0.267 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.25 -176.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.205 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 179.81 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -131.24 -176.58 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -131.08 87.93 46.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.36 173.85 10.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -81.35 158.54 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.94 160.18 9.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.18 -167.2 29.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 20.6 mm -82.49 78.81 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 1.9 m-85 -176.57 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.5 152.49 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -166.21 53.29 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -75.97 -35.71 2.36 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.579 2.186 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.567 HD13 ' OE2' ' A' ' 54' ' ' GLU . 3.3 tt 55.99 62.46 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.01 -32.89 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -83.03 58.19 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.567 ' OE2' HD13 ' A' ' 51' ' ' LEU . 5.5 tt0 -105.65 17.09 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -58.49 -30.73 67.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.74 -53.52 0.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.99 -40.68 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.75 -49.01 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 83' ' ' VAL . 5.8 ptmt -60.13 -44.2 95.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.22 -43.84 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.73 -45.41 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 98' ' ' LEU . 8.0 tp -66.25 -53.83 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.83 -53.57 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.31 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.34 -55.36 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.09 -54.8 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 63' ' ' ALA . 56.6 t -51.36 -51.13 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.98 67.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -64.57 -40.67 95.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.609 ' OH ' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -91.23 -20.01 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.454 ' OD1' HG12 ' A' ' 67' ' ' VAL . 9.7 m120 -84.72 -23.94 29.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.654 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.21 -36.28 24.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 111.407 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -50.16 -45.52 53.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.5 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -176.6 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.489 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.5 178.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.58 -175.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.51 44.83 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.8 pp -59.76 178.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.41 119.25 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -69.85 149.47 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 108' ' ' LYS . 11.1 m -103.6 -36.29 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.8 ptt85 174.86 165.81 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -88.41 140.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.37 -17.72 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.386 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.801 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.5 mttt -145.81 153.6 41.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.56 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.92 132.01 10.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 154.9 47.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -112.81 142.32 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -141.48 154.48 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.14 117.93 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.5 m -160.24 100.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 70.4 m 60.51 25.89 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.02 -113.09 0.58 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.161 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.8 mmt -145.95 114.63 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.16 124.38 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -108.28 126.25 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.278 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -112.76 97.43 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.297 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.9 pt? -123.74 141.59 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.42 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -106.72 139.49 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.486 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.766 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -137.0 160.82 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.515 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -89.31 140.61 29.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.013 HG21 ' CE2' ' A' ' 111' ' ' TYR . 14.8 m -113.96 151.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.469 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -135.17 135.94 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.673 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -137.26 86.72 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.59 30.24 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.367 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -39.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 109.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.752 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.7 tptm -105.96 133.49 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -153.49 -178.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.123 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -130.17 113.9 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 1.013 ' CE2' HG21 ' A' ' 102' ' ' VAL . 10.5 m-30 -117.4 141.31 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.607 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.94 142.21 27.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.04 133.24 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.4 ptpp? -123.78 115.87 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.75 150.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.251 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.3 t90 -122.65 142.84 50.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 27.1 tt0 -153.89 127.1 8.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.478 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.0 mp0 -100.15 175.33 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -114.97 -37.33 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.415 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.5 p90 -83.52 -21.42 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.995 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.3 tpp -97.28 -25.3 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.657 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.37 38.55 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 142.02 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -148.08 133.2 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.746 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -162.77 170.66 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -77.4 132.72 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.29 -62.33 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.979 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -147.06 156.63 43.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 111.327 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.6 t80 -137.41 109.14 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 6.6 p -98.98 151.4 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.834 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 26.6 p90 -111.32 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.46 -170.41 2.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.94 -70.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -176.96 166.87 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 1.123 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.465 -0.19 0 CA-C-O 120.792 0.247 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tttt 62.05 116.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -177.16 166.4 1.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.52 125.86 13.97 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.214 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -93.41 156.11 40.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.4 Cg_endo -75.24 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.27 119.69 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.28 159.66 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -177.27 87.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.59 176.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.92 163.28 52.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo . . . . . 0 C--N 1.345 0.347 0 C-N-CA 122.507 2.138 . . . . 0.0 112.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.739 0.304 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 40.7 Cg_exo -56.95 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -163.77 -167.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -157.71 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.43 91.12 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 169.65 17.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.166 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.11 158.8 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 173.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.4 -173.92 45.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 -163.83 11.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.749 HD11 ' OE1' ' A' ' 89' ' ' GLN . 19.8 mm -82.93 63.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.984 0.421 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -177.09 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.46 133.28 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.02 64.36 40.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 20.1 Cg_exo -65.46 -66.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.614 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 56.58 54.18 7.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.933 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -58.41 -30.76 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.61 58.01 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.53 17.24 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -58.44 -42.98 88.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.3 -47.8 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.559 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -66.13 -39.02 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.07 -50.09 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.3 ptmt -59.78 -41.65 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.98 -45.36 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.55 -48.02 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -64.18 -53.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.27 -54.42 36.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -36.18 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.72 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.55 -59.54 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.67 -53.88 53.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.3 t -51.35 -52.76 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.69 -30.96 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' HD22 ' A' ' 126' ' ' LEU . 14.4 tm-20 -62.64 -41.65 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -92.02 -17.25 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.733 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.0 m120 -88.07 -20.49 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.535 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -35.0 21.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.71 0.291 . . . . 0.0 111.292 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.18 -85.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.375 -179.529 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -147.44 13.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.325 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.1 t30 -84.96 -165.55 1.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.11 -164.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 88.12 2.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.896 HD22 HG11 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -111.42 -177.52 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -140.98 127.63 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.75 149.45 39.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG21 ' HE3' ' A' ' 108' ' ' LYS . 9.5 m -104.17 -37.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.2 ptt180 174.65 166.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.831 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.97 142.03 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.222 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.861 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -117.04 -15.13 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.529 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.861 ' HG3' HG13 ' A' ' 84' ' ' VAL . 9.6 mttm -147.63 155.94 42.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.094 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.614 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.41 126.97 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 160.8 37.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG2' ' CE1' ' A' ' 96' ' ' HIS . 64.3 mt-10 -117.13 158.91 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.749 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -162.51 141.67 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -108.72 121.19 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.277 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.6 m -160.1 96.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.4 m 61.41 25.84 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.82 -114.17 0.61 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.223 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -145.9 114.67 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 3.2 ttm -113.42 139.23 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.436 ' CE1' ' HG2' ' A' ' 88' ' ' GLU . 12.7 t60 -126.2 121.42 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.112 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -101.9 94.0 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.92 141.7 47.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.419 -179.4 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.938 HG22 HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -111.26 137.26 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.408 179.45 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.831 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.74 160.42 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 0.0 111.355 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.4 mt-10 -89.43 135.47 33.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.896 HG11 HD22 ' A' ' 78' ' ' LEU . 17.0 t -124.3 150.41 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.425 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -128.03 146.23 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.78 106.19 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.34 29.98 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.94 -27.33 17.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -69.23 109.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 tptm -100.06 137.03 39.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.1 mtmt -159.9 171.92 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.938 HD11 HG22 ' A' ' 99' ' ' THR . 11.9 tp -114.48 120.92 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.6 m-85 -120.03 140.95 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.35 142.58 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.873 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.8 129.68 34.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.7 ptpt -119.18 117.98 30.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.59 150.14 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.9 t90 -125.51 142.65 51.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 1.4 tm-20 -152.45 125.74 8.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.29 175.09 5.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.64 -37.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -84.76 -21.0 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -24.93 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.07 139.18 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -145.56 128.6 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -162.71 172.71 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -77.61 138.87 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.17 -61.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -146.12 157.16 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 111.314 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.873 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.9 t80 -138.27 108.75 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.362 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.9 p -98.94 151.22 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 22.1 p90 -109.33 106.88 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.2 mt -88.32 175.52 7.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -58.76 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -161.13 154.67 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.766 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.841 0.267 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 60.92 112.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -172.27 154.27 3.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.04 127.73 15.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.258 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.3 m -100.25 156.13 35.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 72.5 Cg_endo -75.0 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.85 119.56 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 175.26 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.99 84.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -168.53 -176.96 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -152.95 162.02 27.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 122.545 2.164 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.734 0.302 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 179.4 3.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.207 . . . . 0.0 112.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.59 173.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.22 -171.96 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -104.9 149.15 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -172.85 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.52 2.147 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.76 158.52 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ptp -58.48 144.77 41.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.59 -175.75 44.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.17 -162.62 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 15.5 mm -87.42 68.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -177.02 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.52 140.17 47.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -141.23 53.0 3.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.3 Cg_endo -59.39 -74.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.592 2.195 . . . . 0.0 112.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.919 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 58.49 71.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -60.14 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -85.26 64.6 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.64 17.18 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.38 -37.13 74.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -48.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -64.72 -39.0 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.88 -51.01 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.797 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.5 ptmt -59.84 -38.46 82.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.1 -52.04 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -58.31 -43.82 88.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 98' ' ' LEU . 6.9 tp -61.88 -53.33 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.99 -54.27 45.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -37.5 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.86 -58.8 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.754 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.02 -53.69 55.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 63' ' ' ALA . 53.5 t -51.36 -50.37 28.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -67.77 -28.83 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.37 -41.92 96.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.74 -20.15 23.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.5 m120 -84.89 -23.73 28.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.735 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.67 -35.79 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.708 0.289 . . . . 0.0 111.4 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.3 -45.21 54.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.77 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.548 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.72 173.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.201 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.02 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.85 88.4 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -176.47 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.738 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -139.02 133.87 32.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -81.83 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.716 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -104.04 -36.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HG2' HG23 ' A' ' 81' ' ' VAL . 11.7 ptt180 176.09 164.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -89.88 142.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.897 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -116.79 -14.85 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.515 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.897 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -147.74 155.89 42.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.919 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -160.54 121.78 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.19 151.93 51.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.19 133.55 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HG3' ' CD1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -130.99 155.59 46.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -121.61 117.59 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.61 102.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 17.6 m 60.15 26.36 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.788 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.43 -112.35 0.57 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.152 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.476 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.6 mmt -147.48 114.7 6.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 2.8 ttm -113.05 128.64 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -112.04 117.18 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.235 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.6 m-85 -103.11 98.63 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -118.46 141.66 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.45 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.843 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.22 135.13 52.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.402 179.527 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -137.42 158.96 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.267 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.0 mt-10 -89.35 130.93 35.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.441 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -119.5 150.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -126.06 146.14 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.667 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -151.6 111.46 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.79 29.36 7.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.365 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.24 -27.91 15.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.549 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 109.48 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.785 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 2.7 tptm -105.3 131.58 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 1.1 mtpp -157.68 178.2 10.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 99' ' ' THR . 11.3 tp -116.89 121.99 43.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.671 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' N ' HD12 ' A' ' 110' ' ' LEU . 6.1 m-85 -121.18 144.45 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.53 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.7 140.81 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.049 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.864 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.31 127.41 37.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -116.48 117.26 29.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.001 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.64 150.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.8 t90 -123.7 143.09 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -152.62 123.26 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -100.02 174.2 6.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.948 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.45 -38.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.4 p90 -83.0 -21.19 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.92 -25.23 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.76 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.48 44.35 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.72 138.06 50.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -144.47 126.17 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -162.73 171.95 16.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.754 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.6 tt -76.89 138.85 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.623 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.619 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.19 -62.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -146.22 157.14 43.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.864 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.9 t80 -135.55 108.33 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 151.25 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.016 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 39.9 p90 -108.8 110.71 22.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.18 -172.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.46 84.07 0.51 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.83 -177.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 111.581 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.697 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.843 0.268 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -114.82 128.27 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -177.11 149.73 0.82 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -51.63 168.69 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.253 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -130.41 156.3 79.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.9 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.0 119.65 22.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.46 161.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -176.35 90.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 165.41 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.19 160.46 66.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.7 Cg_endo . . . . . 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 -167.81 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.152 . . . . 0.0 112.209 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -167.93 148.06 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.58 172.06 13.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -92.35 139.53 24.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 176.73 9.63 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.541 2.161 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -116.28 158.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.62 175.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.49 -118.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.37 -171.75 44.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.784 HD11 ' OE1' ' A' ' 89' ' ' GLN . 30.3 mm -69.69 -11.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.586 0.232 . . . . 0.0 111.517 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -109.91 -29.92 8.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 146.61 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.9 52.38 0.28 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.3 Cg_endo -75.27 -39.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.5 2.133 . . . . 0.0 112.278 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER 54.6 60.87 3.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -56.52 -28.52 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.48 45.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.795 ' HB2' HD22 ' A' ' 51' ' ' LEU . 27.0 tt0 -94.7 17.21 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -58.49 -29.66 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.68 -53.83 0.79 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.579 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.21 -49.45 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.685 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.69 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 2.6 mt-10 -67.17 -48.71 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -58.03 -41.12 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 98' ' ' LEU . 6.5 tp -65.53 -53.25 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.55 -54.35 45.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.62 -37.22 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.32 -60.13 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.1 -53.69 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.4 t -51.39 -51.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -67.31 -29.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -64.25 -41.6 96.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -90.13 -20.18 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.714 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.7 m120 -84.88 -23.48 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.746 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.96 -35.87 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.726 0.298 . . . . 0.0 111.372 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -50.26 -45.34 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.63 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.567 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.59 173.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.35 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.59 87.76 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.851 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -107.18 -177.04 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -139.49 131.6 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.139 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -78.83 149.58 32.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -103.66 -36.66 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.017 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 81' ' ' VAL . 18.1 ptt180 175.09 165.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.1 m -88.58 142.77 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.9 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -118.31 -13.86 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.542 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.9 ' HG3' HG13 ' A' ' 84' ' ' VAL . 16.7 mttt -148.13 154.53 40.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.52 127.62 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.048 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 161.58 37.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.762 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -117.72 159.77 22.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.059 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -160.23 142.59 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -111.63 118.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.54 101.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 62.3 m 59.59 25.38 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.61 -113.16 0.57 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.194 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -145.92 114.67 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.567 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.12 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.0 125.46 44.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -107.69 95.89 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.521 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -117.21 141.63 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.95 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.84 138.51 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -139.32 158.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 21.1 mt-10 -89.46 133.72 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.851 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.24 150.88 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.485 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -128.04 148.87 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.65 109.24 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.35 29.55 11.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.35 -27.8 15.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.34 109.53 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HE3' HG21 ' A' ' 81' ' ' VAL . 8.2 tptm -102.54 142.57 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 11.2 mttp -165.59 175.73 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -117.67 121.26 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.673 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -120.67 142.26 49.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -93.51 139.85 30.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.063 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -129.37 132.32 47.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -121.56 116.73 25.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.808 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 125' ' ' GLN . 19.6 t -106.6 150.07 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.567 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 23.5 t90 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.15 122.46 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.47 173.83 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.84 -37.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.409 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -83.25 -20.73 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -24.78 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.11 44.86 7.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.81 138.67 50.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.97 127.19 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 115' ' ' VAL . 2.8 pm0 -162.71 173.85 13.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.8 tt -76.7 139.19 40.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -97.83 -58.11 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.269 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -146.93 157.19 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.343 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.2 t80 -139.8 106.79 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.307 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.6 p -99.04 150.21 22.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.3 p90 -107.04 110.51 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.08 -171.71 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.8 83.74 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.73 -177.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.977 0.417 . . . . 0.0 111.608 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.11 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' A' ' 46' ' ' ILE . 72.4 Cg_endo . . . . . 0 N--CA 1.464 -0.224 0 CA-C-O 120.762 0.234 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 45.22 39.34 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.382 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -132.85 157.41 78.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 -179.95 3.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -128.36 156.45 76.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.7 Cg_endo -74.96 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.62 -169.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.06 158.1 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.52 -174.51 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.58 -177.99 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.25 156.37 41.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.344 0.34 0 C-N-CA 122.565 2.177 . . . . 0.0 112.234 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -51.54 -177.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.57 2.18 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.21 -168.89 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.44 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -112.62 91.3 16.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 177.76 4.41 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.499 2.133 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -85.26 158.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.419 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.64 -177.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.87 154.87 6.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.05 -173.18 48.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 6' ' ' PRO . 26.6 mm -75.37 63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -179.65 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 133.15 46.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -171.55 67.13 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.69 -30.06 44.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.49 2.127 . . . . 0.0 112.086 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 52.31 75.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.88 -35.75 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.52 48.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB3' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -93.84 17.17 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.5 -29.6 66.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.52 -39.47 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.19 -55.51 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.32 -53.26 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.5 pttt -59.32 -36.54 75.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.008 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.74 -60.34 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.288 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -56.52 -41.13 76.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 98' ' ' LEU . 7.3 tp -61.36 -53.83 51.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.35 -54.29 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.224 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.35 -38.78 88.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.46 -58.0 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.986 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.31 -54.4 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 63' ' ' ALA . 45.7 t -51.31 -51.5 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -66.76 -28.43 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.46 -43.55 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -88.16 -19.47 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.18 -25.91 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.718 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -35.03 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.8 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.438 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -176.4 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 111.351 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.78 169.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.367 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.71 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.31 89.42 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.731 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.42 -176.16 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -139.85 134.22 31.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.25 149.51 28.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.665 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 108' ' ' LYS . 7.8 m -104.09 -37.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.008 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.6 ptt180 175.28 165.54 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.854 HG12 ' CG1' ' A' ' 100' ' ' VAL . 10.5 m -87.86 145.75 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -121.71 -11.99 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.8 mttt -148.73 149.54 31.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.905 0.383 . . . . 0.0 111.183 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 51' ' ' LEU . . . -145.88 133.89 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mptp? -146.1 142.41 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.16 145.8 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 12.2 tt0 -145.63 149.64 34.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.633 HG13 ' HE2' ' A' ' 94' ' ' MET . 21.6 t -123.35 116.43 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -160.97 106.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t 60.03 26.26 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.06 -111.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.225 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.633 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.5 mmt -147.92 114.64 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.78 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.636 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 6.4 ttm -114.87 136.95 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.425 ' CG ' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -121.05 114.88 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -99.12 106.65 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -128.46 141.64 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 0.0 111.281 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.915 HG22 HD11 ' A' ' 110' ' ' LEU . 2.9 m -107.22 140.33 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.453 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.854 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -140.33 159.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.4 mt-10 -89.49 133.31 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.731 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.12 149.23 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 111.502 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -123.71 147.43 47.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.79 86.67 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.94 31.34 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.417 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.73 -39.28 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.545 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.89 109.49 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.739 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.49 133.48 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.7 mttp -157.01 173.89 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.6 tp -116.32 121.17 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.563 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -121.82 144.44 48.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.58 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -97.43 144.01 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.827 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -135.75 136.83 41.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpt -121.1 119.12 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -106.56 150.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.636 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.6 t90 -127.55 143.3 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.14 124.96 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.462 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -101.13 174.78 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.8 -37.85 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -83.39 -21.34 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -25.46 15.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.675 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.4 44.31 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.15 140.87 50.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 126.14 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.67 175.36 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.289 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.986 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.3 tt -80.62 139.91 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.408 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -95.41 -59.63 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -146.71 157.18 43.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.827 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.4 t80 -138.45 106.84 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.429 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.0 p -99.03 151.3 21.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.432 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -111.25 111.85 23.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.821 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.5 mt -87.24 -169.82 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.18 -67.34 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -177.01 161.19 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' HG11 ' A' ' 91' ' ' VAL . 58.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.805 0.252 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -132.17 108.22 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.36 164.83 2.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.77 141.31 53.92 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.614 2.209 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -108.7 156.44 38.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.71 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.47 119.74 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.34 159.89 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.91 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -168.89 170.7 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.09 160.15 69.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 57.4 Cg_endo . . . . . 0 C--N 1.344 0.329 0 C-N-CA 122.557 2.172 . . . . 0.0 112.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 167.98 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.54 2.16 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.46 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.29 -169.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -104.16 149.17 36.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.18 -168.13 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.578 2.185 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.1 tp -120.06 154.45 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.475 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -55.14 146.32 18.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.82 -163.81 34.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.76 -163.24 9.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.828 HD11 ' OE1' ' A' ' 89' ' ' GLN . 23.6 mm -75.94 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.57 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.02 124.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -139.99 52.25 3.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 71.9 Cg_endo -77.33 -42.82 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.401 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.789 HD22 ' HG2' ' A' ' 54' ' ' GLU . 1.0 OUTLIER 56.52 73.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.86 -49.51 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -70.65 65.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.789 ' HG2' HD22 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -105.62 17.19 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.39 -30.59 66.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.824 0.345 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.99 -48.92 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.563 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -40.61 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.789 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -69.83 -52.61 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 6.3 ptmt -58.58 -45.86 88.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -60.19 -47.67 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -63.47 -53.79 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.755 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.47 -53.64 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -38.94 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.04 -54.94 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.936 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.15 -55.65 32.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -52.9 -54.43 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -63.51 -29.41 70.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.32 -43.48 90.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -88.94 -15.0 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.5 m120 -86.79 -33.9 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.408 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.89 -36.17 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.348 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -43.18 54.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -176.97 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.739 0.304 . . . . 0.0 111.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.7 171.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.396 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.01 -169.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.99 40.19 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -53.84 175.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -142.36 133.21 25.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.18 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -84.59 149.45 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 101' ' ' GLU . 4.5 m -104.39 -35.61 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.055 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 176.29 164.25 0.41 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.794 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.9 m -86.96 143.1 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.871 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.0 p -117.15 -15.59 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.503 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.871 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.8 mttt -147.32 154.81 41.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.333 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.574 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.69 136.05 12.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.84 157.7 43.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.92 147.68 34.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.828 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -146.42 142.31 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -114.65 116.61 53.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.7 m -159.92 103.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t 59.75 27.22 16.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.11 -111.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.202 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.401 ' HE2' HG13 ' A' ' 90' ' ' VAL . 25.7 mmt -144.87 114.56 7.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.817 0.341 . . . . 0.0 110.785 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.558 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -115.07 127.37 55.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -111.09 131.69 54.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.3 m-85 -119.33 101.76 8.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -126.5 141.7 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.052 0.454 . . . . 0.0 111.269 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.868 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -106.03 142.76 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.589 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.794 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -140.27 158.53 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.26 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.3 mt-10 -89.28 124.3 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 78' ' ' LEU . 9.9 t -114.03 144.61 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.069 0.461 . . . . 0.0 111.704 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -121.19 150.79 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -150.07 105.63 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.88 29.8 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.44 16.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -70.12 109.48 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.506 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.4 tptm -94.26 140.96 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 15.1 mttt -159.98 -178.71 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 111.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 HG22 ' A' ' 99' ' ' THR . 9.8 tp -128.41 115.81 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 7.1 m-85 -117.49 140.01 50.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.552 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.3 tt0 -92.27 145.47 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.78 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.863 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . . . -134.86 134.32 40.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.175 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 1.1 ptpp? -123.33 116.07 22.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 62' ' ' LEU . 12.7 p -106.71 150.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.558 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 22.2 t90 -123.2 145.94 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.28 121.68 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.0 OUTLIER -101.88 176.29 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.868 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.36 -36.57 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -84.64 -20.57 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -23.19 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.727 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.49 50.98 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.56 143.64 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.713 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -153.77 119.07 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -162.75 174.15 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.177 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.936 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.3 tt -74.25 139.99 44.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.443 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -97.12 -59.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -146.75 156.96 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.061 0.458 . . . . 0.0 111.202 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.863 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 6.2 t80 -136.14 109.78 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.417 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.01 151.2 21.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.044 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 25.6 p90 -111.2 111.12 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.72 -169.33 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -104.63 83.68 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 p30 47.85 -178.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.68 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.834 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.83 0.262 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.61 107.2 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.65 157.36 1.2 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.81 179.52 1.75 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.577 2.185 . . . . 0.0 112.273 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -132.42 156.14 80.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.5 Cg_endo -75.3 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.94 119.73 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.59 157.69 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.37 76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -157.57 177.39 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.11 169.13 14.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.767 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 69.7 Cg_endo . . . . . 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 6.1 mm-40 . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.684 0.278 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -177.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.41 174.58 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.43 -174.71 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -107.84 87.5 3.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.81 140.83 43.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.545 2.164 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.6 tt -84.53 158.5 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -58.4 -177.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.95 -146.57 14.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.03 -156.18 7.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 46' ' ' ILE . 24.8 mm -97.55 36.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -166.19 108.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -164.53 -66.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 58.12 52.89 5.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.1 Cg_endo -76.92 -45.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 49.33 44.51 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -57.51 -30.65 65.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -95.98 69.24 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -105.58 17.1 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.7 -31.02 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.88 -45.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.89 -50.18 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.74 -36.24 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.774 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 83' ' ' VAL . 5.1 ttpt -62.14 -49.38 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 2.6 mt-10 -74.26 -38.66 63.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.36 -49.99 75.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 110.502 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 98' ' ' LEU . 5.7 tp -68.95 -53.61 19.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.11 -53.17 60.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.8 0.333 . . . . 0.0 111.218 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -41.05 97.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 36' ' ' GLU . 58.3 t80 -56.12 -56.03 25.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.53 -54.76 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.0 t -51.36 -54.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -65.11 -31.34 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -93.52 -16.24 24.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -88.27 -21.61 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.392 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -35.21 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 111.32 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.44 -85.43 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.61 14.58 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.2 t30 -83.84 -165.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.346 . . . . 0.0 110.983 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.71 -164.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.89 89.48 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -113.34 -176.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -140.12 129.39 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -78.44 149.75 33.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.623 179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 27.4 m -105.8 -38.59 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 15.5 ptm180 176.87 166.35 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.824 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.0 141.55 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.817 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.8 p -114.53 -18.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.817 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -145.6 155.78 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . . . -153.32 123.94 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 158.79 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -119.25 159.45 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.566 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -163.26 142.93 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -109.6 118.84 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 90' ' ' VAL . 5.3 m -159.57 100.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.2 m 60.35 24.41 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.23 -114.15 0.62 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.2 mmt -145.33 114.67 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -112.79 143.39 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -132.02 122.4 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.195 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -104.31 93.73 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.12 141.67 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.436 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.82 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.34 134.34 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.438 179.569 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.824 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -134.54 160.86 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.409 . . . . 0.0 111.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.28 134.32 34.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 78' ' ' LEU . 22.1 t -124.59 148.82 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.312 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -123.4 144.8 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.747 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.38 86.67 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.56 29.31 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.361 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.95 -38.23 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -67.81 109.51 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.34 130.22 46.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -156.14 169.13 25.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 135' ' ' ALA . 10.6 tp -112.56 121.72 45.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.48 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -119.2 143.46 47.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.625 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -94.48 139.55 31.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.82 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.99 131.43 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.7 ptpt -119.43 117.78 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.9 t -106.62 150.07 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.517 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -126.88 142.25 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 5.6 tm-20 -152.48 126.32 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.61 174.96 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.39 -37.22 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -84.43 -21.08 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.26 40.43 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.66 139.53 53.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.1 129.52 16.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.74 174.02 13.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.656 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -79.96 137.55 36.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.673 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -93.21 -61.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -146.56 157.15 43.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.477 . . . . 0.0 111.278 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.82 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.0 t80 -139.11 105.85 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.294 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.7 p -99.08 151.21 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.006 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.7 p90 -107.77 109.93 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.17 -171.65 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.71 -79.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -165.84 161.19 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.856 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.811 0.255 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 77.27 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.02 166.75 1.35 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.95 163.44 37.54 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.503 2.135 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.14 156.52 78.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.6 Cg_endo -74.35 -168.24 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.16 119.81 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.16 150.1 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -176.8 103.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -176.54 179.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.12 163.6 48.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.6 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.583 2.189 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.671 0.272 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.12 -176.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -176.58 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.74 144.87 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -106.89 87.43 2.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -168.86 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.577 2.185 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.87 158.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -58.42 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.95 -149.65 21.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.2 176.58 20.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.0 mm -74.59 75.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.092 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -177.71 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.9 153.15 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.23 52.65 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 77.6 Cg_endo -77.58 -42.7 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.564 2.176 . . . . 0.0 112.504 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 57.03 104.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.909 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -85.57 -49.39 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -74.14 64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' CG ' HD22 ' A' ' 51' ' ' LEU . 48.4 mt-10 -102.02 17.07 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -59.3 -30.45 68.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.96 -46.65 1.08 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.75 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.62 -51.74 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.78 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.8 ptmt -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.18 -60.28 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.256 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.21 -40.48 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.845 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -61.53 -53.78 51.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -57.06 -53.93 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -37.77 84.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -58.21 -58.95 6.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.932 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.58 -54.44 47.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.6 t -51.38 -50.9 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -30.71 71.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.802 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' OE1' HD22 ' A' ' 126' ' ' LEU . 13.6 tm-20 -62.85 -44.65 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -90.39 -15.57 30.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 75' ' ' ASN . 23.9 t-20 -88.25 -22.16 24.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.689 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -85.22 -34.44 22.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.424 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.81 -43.76 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.767 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -176.49 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 0.0 111.466 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 10.0 t-20 -44.59 166.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.375 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.9 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.556 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.0 97.28 5.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.705 HD13 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -116.39 -177.15 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.743 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -143.92 135.81 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.17 149.53 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.4 m -103.66 -36.62 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 8.0 ptt85 176.09 164.13 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.795 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.7 m -89.02 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.916 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -118.79 -13.68 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.63 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.916 ' HG3' HG13 ' A' ' 84' ' ' VAL . 15.1 mttt -148.43 156.58 42.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.567 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.97 126.96 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.29 156.99 46.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.65 143.57 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.059 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -154.74 154.79 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.799 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.5 t -105.89 124.66 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.26 96.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.704 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 15.3 m 61.42 26.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.54 -112.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.075 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.9 114.7 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.792 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.528 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.45 133.4 55.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.76 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 4.6 t60 -122.02 123.29 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.053 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -105.92 94.75 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.44 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.02 141.58 46.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.295 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.875 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.48 137.62 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.795 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.85 157.57 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.277 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.0 mt-10 -89.34 132.34 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.705 HG11 HD13 ' A' ' 78' ' ' LEU . 18.9 t -119.61 151.72 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -124.28 144.43 49.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.13 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.31 31.0 8.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.377 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.87 -39.22 1.95 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.18 109.51 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 9.9 tptm -105.03 137.19 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 32.5 mttt -161.07 175.59 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.875 HD11 HG22 ' A' ' 99' ' ' THR . 12.6 tp -116.13 121.51 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.703 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 4.8 m-85 -122.1 142.74 50.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.685 ' HA ' HG23 ' A' ' 99' ' ' THR . 1.1 tt0 -93.89 140.38 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.76 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -130.9 128.43 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.9 ptpt -116.38 116.1 27.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.67 150.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.528 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -125.0 143.15 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.88 124.7 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -100.2 174.65 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.1 p -115.53 -37.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.0 p90 -83.68 -21.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -25.04 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.742 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.41 42.55 8.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.1 140.22 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 127.54 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -162.76 172.77 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.251 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.932 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.58 135.1 37.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.77 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -146.11 157.17 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.129 0.49 . . . . 0.0 111.318 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.76 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.5 t80 -137.41 107.68 6.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.302 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.1 p -99.04 148.33 24.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.01 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 29.4 p90 -105.73 109.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.71 -170.94 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.71 83.46 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 47.14 -175.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.609 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.774 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.701 0.209 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 43.09 92.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.544 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -155.51 165.22 18.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 140.45 57.19 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.527 2.151 . . . . 0.0 112.196 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.0 m -100.87 155.51 36.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.15 -167.89 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.326 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.78 119.68 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.26 178.42 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -146.0 -53.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.52 -171.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -106.51 168.13 8.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.573 2.182 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.7 0.286 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.3 166.28 0.77 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.583 2.189 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -175.97 -168.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -148.83 167.02 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -88.56 143.72 32.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HB3' ' ND1' ' A' ' 96' ' ' HIS . 73.7 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.568 2.179 . . . . 0.0 112.367 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -111.58 166.17 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.32 147.57 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.15 162.07 13.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.91 -142.86 13.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 mm -98.22 33.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -135.06 -45.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.009 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.41 126.33 24.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -137.79 51.04 3.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -60.97 -73.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.491 2.127 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.674 HD13 ' CB ' ' A' ' 86' ' ' ALA . 1.6 tt 60.89 79.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.76 -31.36 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -78.89 61.85 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.551 ' HB3' HD23 ' A' ' 51' ' ' LEU . 21.2 pt-20 -99.08 17.14 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.253 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -58.73 -41.45 86.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.91 -45.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -67.24 -40.18 86.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.65 -48.6 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.661 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -62.38 -40.32 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.84 -50.53 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.76 -45.38 86.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 98' ' ' LEU . 6.0 tp -61.65 -53.16 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.64 -54.33 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -36.92 83.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.12 -56.94 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.867 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.4 -54.22 48.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.8 t -51.32 -54.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.81 -29.81 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.98 -40.55 96.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -91.35 -20.22 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.061 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.8 m120 -84.58 -23.33 29.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -36.09 23.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.289 . . . . 0.0 111.38 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -50.31 -45.67 54.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.528 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.52 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.544 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.64 174.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.246 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.17 -173.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.03 88.57 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.39 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.79 149.47 29.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.633 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.559 HG21 ' HE2' ' A' ' 108' ' ' LYS . 12.3 m -103.93 -36.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 6.5 ptt180 175.31 165.17 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.815 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.98 141.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.866 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.8 p -114.64 -16.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.866 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.2 mttt -147.72 155.42 41.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.674 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -156.15 121.26 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -134.2 161.46 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -119.91 158.72 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 4.4 tt0 -152.7 160.05 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.1 t -124.2 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.323 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.0 m -160.27 96.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 58.6 m 61.97 24.15 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.71 -116.33 0.72 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.224 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.12 114.77 6.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -109.0 148.85 30.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 41' ' ' PRO . 7.3 t60 -132.71 115.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.0 m-85 -99.65 94.11 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.824 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.86 141.63 47.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 -179.589 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.933 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.61 136.7 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.504 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.815 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.91 160.34 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 81' ' ' VAL . 15.7 mt-10 -89.33 129.74 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.897 HG11 HD22 ' A' ' 78' ' ' LEU . 21.3 t -117.96 149.06 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 0.0 111.514 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -124.57 146.74 48.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -132.46 86.65 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.4 30.9 8.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.83 -38.91 2.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -68.53 109.46 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.702 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -100.01 134.77 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.59 172.53 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.933 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -115.35 120.46 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.617 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.6 m-85 -119.83 143.7 47.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -95.45 142.02 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.891 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.08 132.01 39.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpp? -122.21 118.85 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 150.09 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.498 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.0 t90 -123.06 141.18 52.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -152.65 127.14 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -104.97 176.58 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.69 -36.2 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.412 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.8 p90 -85.51 -21.38 28.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.56 -24.21 15.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.5 49.86 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.6 137.86 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 125.12 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -162.7 172.55 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.867 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -76.98 139.92 40.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -96.19 -62.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -145.26 157.17 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.107 0.479 . . . . 0.0 111.432 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.891 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.7 t80 -137.97 107.66 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.16 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.4 p -98.94 151.25 21.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.3 p90 -109.27 108.58 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.468 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.0 mt -89.28 176.26 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.71 -79.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -168.0 154.86 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.779 0.241 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -134.69 123.81 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.01 160.15 1.49 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 157.46 6.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.559 2.172 . . . . 0.0 112.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -130.22 156.48 79.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.53 -168.19 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.616 2.211 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.48 119.74 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 162.4 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -169.38 102.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.5 -179.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.648 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -140.62 163.99 39.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.648 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.6 Cg_endo . . . . . 0 C--N 1.344 0.332 0 C-N-CA 122.538 2.159 . . . . 0.0 112.335 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.716 0.293 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -176.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.37 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -134.61 -178.55 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.46 179.79 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.65 87.82 2.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.59 155.39 66.63 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.572 2.181 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.37 158.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.9 ptp -58.3 -176.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.18 -160.63 26.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.36 -133.86 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 46' ' ' ILE . 19.8 mm -98.39 30.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.26 -45.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.96 110.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -140.34 52.38 3.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 72.2 Cg_endo -76.72 -33.86 2.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.4 tt 55.83 52.04 11.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -58.37 -31.4 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -80.88 61.0 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -98.73 17.15 20.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -59.33 -30.77 68.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.01 -45.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.0 -37.9 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.64 -50.2 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.6 ptmt -59.93 -45.69 91.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 3.4 mm-40 -68.52 -39.92 80.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.72 -50.03 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.829 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -65.24 -53.85 38.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.91 -54.39 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.95 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -64.3 -58.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -57.31 -55.39 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.6 t -51.51 -58.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.967 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -32.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.79 -45.78 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -90.53 -9.55 46.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.6 ' OD1' HD12 ' A' ' 78' ' ' LEU . 2.0 m120 -91.8 -26.17 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.668 0.27 . . . . 0.0 111.36 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -76.75 -32.04 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -50.16 -82.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -159.78 24.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.79 -166.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 111.347 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.84 -27.02 60.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.383 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.96 82.54 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.001 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.021 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -109.68 -172.61 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -133.54 131.78 40.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.273 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.62 149.37 26.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.458 HG21 ' HE3' ' A' ' 108' ' ' LYS . 8.7 m -105.86 -37.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.5 ptt180 176.74 164.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.816 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.9 m -90.66 143.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.785 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.94 -19.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.306 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.785 ' HG3' HG13 ' A' ' 84' ' ' VAL . 20.1 mttt -145.49 153.25 40.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.787 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -157.28 136.61 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.414 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -146.0 160.0 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.642 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -128.5 139.2 52.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 2.7 pt20 -144.61 150.56 37.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.7 t -101.65 126.23 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.384 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 90' ' ' VAL . 2.4 m -162.82 97.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.651 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 7.8 m 61.28 25.55 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.46 -109.68 0.5 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.077 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.452 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.1 mmt -148.53 114.65 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.796 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 4.1 ttm -114.37 129.83 56.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.763 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -110.94 125.06 53.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -112.96 102.38 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.325 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.829 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -129.53 141.73 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -104.73 138.22 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.479 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.816 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -137.09 161.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 111.427 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.2 mt-10 -89.3 133.89 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.341 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.021 HG11 HD13 ' A' ' 78' ' ' LEU . 15.8 t -128.39 142.95 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.411 . . . . 0.0 111.618 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -119.61 150.84 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -150.19 107.26 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 55.6 29.95 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.55 -27.92 15.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 109.53 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.354 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.3 tptm -101.45 137.0 40.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 12.1 mttm -159.37 174.83 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -114.0 120.18 39.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.543 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.457 ' HE2' HD22 ' A' ' 78' ' ' LEU . 6.0 m-85 -120.8 141.63 50.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.124 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -93.8 144.58 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.79 135.87 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.288 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.445 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -124.15 121.03 34.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.99 150.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.8 t90 -123.91 143.11 50.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.87 124.64 7.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.472 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.3 mp0 -100.36 174.49 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.53 -38.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -82.56 -21.05 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -24.97 15.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.666 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.24 49.45 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.93 149.05 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.86 131.14 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.77 174.21 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.643 HD12 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -80.62 134.65 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.729 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.414 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -89.78 -63.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -146.5 157.22 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 111.336 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.686 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.6 t80 -137.1 106.55 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.25 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 15.0 p -99.01 151.26 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -111.4 110.26 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.413 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.0 mt -88.15 -169.46 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.96 -80.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -167.61 149.53 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.892 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.784 0.243 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 61.21 94.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.97 163.72 4.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.24 179.72 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.548 2.165 . . . . 0.0 112.198 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.1 m -148.39 155.71 42.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.1 Cg_endo -76.08 -167.68 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.704 2.27 . . . . 0.0 112.284 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.65 119.51 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.03 156.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.93 99.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -176.87 169.4 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.17 162.08 56.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.4 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.151 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.693 0.283 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 47.0 Cg_endo -68.66 -167.65 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.49 2.127 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.33 -168.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.54 -174.61 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -111.56 98.02 38.99 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 174.44 8.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.452 2.101 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.0 tp -109.88 155.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.6 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -54.12 145.68 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.26 -146.18 4.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.36 -141.35 4.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 46' ' ' ILE . 20.3 mm -107.82 31.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.11 111.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.44 -166.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.94 64.21 33.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 37.2 Cg_exo -61.21 -19.85 65.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.721 2.281 . . . . 0.0 112.421 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -58.88 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.978 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -94.39 78.8 3.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -92.48 17.15 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.44 -30.85 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.82 -51.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -59.25 -44.95 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.16 -54.82 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 83' ' ' VAL . 1.6 ptmt -56.82 -45.74 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.75 -40.87 88.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.11 -50.03 74.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 3.9 tp -64.93 -51.97 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.19 -54.37 44.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' NH2' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.58 -34.98 76.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.15 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.2 t -51.33 -54.14 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 12.9 ttm180 -65.23 -31.76 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.15 -43.02 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -92.39 -15.91 26.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.05 -18.9 26.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.468 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.99 -34.49 19.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 111.307 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -44.92 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.484 -179.481 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -148.31 14.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.278 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.82 -166.39 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.331 . . . . 0.0 110.955 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.03 -162.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.9 88.86 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -111.04 -178.01 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.6 128.74 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.19 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -75.52 149.52 38.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -105.13 -36.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.3 ptt85 175.85 164.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.833 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -92.0 144.57 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.478 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.923 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -120.23 -15.31 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.923 ' HG3' HG13 ' A' ' 84' ' ' VAL . 37.9 mttt -147.0 154.01 40.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 51' ' ' LEU . . . -153.42 129.0 10.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.1 159.64 41.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -139.83 136.24 33.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.237 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -136.64 160.02 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -105.39 122.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.42 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 90' ' ' VAL . 10.4 m -159.39 97.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.408 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 33.5 m 60.82 27.0 16.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.684 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.57 -111.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.123 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.7 mmt -146.99 114.67 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -111.82 146.66 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 98' ' ' LEU . 32.8 t-80 -135.56 119.93 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.183 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.2 m-85 -103.36 103.87 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.401 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.68 141.63 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.349 -179.415 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.754 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.46 129.99 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.833 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -134.9 160.82 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.8 mt-10 -89.31 131.72 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 78' ' ' LEU . 15.5 t -119.75 151.35 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 111.349 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.11 143.88 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.782 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -143.38 105.55 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.97 29.71 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.273 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.3 -27.3 17.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.573 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -67.94 109.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.583 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.1 tptm -96.71 133.09 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.5 mttp -156.41 173.0 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 135' ' ' ALA . 14.5 tp -114.83 118.93 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 8.8 m-85 -119.24 146.73 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 146.72 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.754 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -138.24 134.91 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.4 ptpt -117.49 118.3 31.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.929 0.395 . . . . 0.0 110.983 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.2 t -106.5 150.13 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.564 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.6 t90 -128.79 142.26 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.037 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -151.68 125.92 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.2 mp0 -100.37 174.65 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.7 p -114.76 -37.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -82.96 -21.17 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 tpp -97.52 -25.36 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.27 40.31 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.04 143.9 51.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 129.24 14.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -162.72 175.11 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.1 tt -85.85 139.26 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.408 ' HB2' ' HG3' ' A' ' 114' ' ' LYS . 5.5 mp0 -97.83 -55.69 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.257 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.78 154.97 42.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.29 0.567 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.812 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 -135.92 108.53 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.995 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.4 p -98.97 151.48 20.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.454 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.6 p90 -112.23 110.3 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.5 mt -87.76 -175.47 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.53 -68.47 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -176.71 161.82 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.786 0.327 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.1 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.34 80.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.7 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -139.4 54.3 5.79 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.65 -28.48 20.93 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.546 2.164 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -139.29 104.19 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -173.99 164.65 2.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.29 179.85 2.69 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.578 2.186 . . . . 0.0 112.275 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.47 156.36 77.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.93 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.607 2.205 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.39 124.08 51.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.643 ' HB2' ' OE1' ' A' ' 125' ' ' GLN . . . -75.68 -179.27 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.07 -68.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -177.29 -174.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -107.81 163.86 16.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo -72.78 -178.23 3.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.79 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.45 -176.57 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 60.33 93.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.07 161.49 29.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -102.95 -177.21 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -75.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.15 -178.44 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.31 146.87 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.77 176.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -131.98 102.97 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.83 -72.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 57' ' ' PHE . 8.4 mt -140.88 159.97 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -100.62 135.76 41.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.18 -178.31 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -131.86 127.6 36.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.61 31.52 20.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t0 60.32 -170.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 60.66 177.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -137.59 88.03 16.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.71 168.99 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -174.93 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.27 175.53 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -105.72 87.47 2.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.51 164.91 32.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.549 2.166 . . . . 0.0 112.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.89 158.51 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 164.08 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.18 141.98 3.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.04 -167.58 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.98 62.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -177.57 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.31 111.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -176.12 69.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 -25.29 59.12 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.239 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 59.41 80.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.44 -36.81 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.36 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -93.91 17.36 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.39 -30.66 66.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.87 -42.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.654 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' N ' HD13 ' A' ' 29' ' ' LEU . 74.9 t80 -63.61 -54.65 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.045 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.3 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.5 pttt -56.31 -40.58 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.95 -45.32 86.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.46 -46.62 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 115' ' ' VAL . 7.5 tp -64.93 -53.02 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.95 -54.36 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.03 -37.21 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.16 -54.83 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.78 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.05 -53.65 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.0 t -52.9 -54.98 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -64.04 -29.74 70.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.24 -43.15 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.18 -19.09 25.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.5 m120 -84.82 -25.62 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.92 -35.64 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.244 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.12 -43.16 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.441 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.75 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.84 169.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.347 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.53 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.74 89.37 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.3 132.95 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -82.68 149.48 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.7 m -103.8 -37.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.5 ptt180 174.8 165.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.843 HG12 ' CG1' ' A' ' 100' ' ' VAL . 7.5 m -88.29 144.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.271 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.855 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -120.34 -13.48 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.638 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.855 ' HG3' HG13 ' A' ' 84' ' ' VAL . 24.2 mttt -147.9 151.04 35.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.911 0.386 . . . . 0.0 111.116 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -146.61 129.71 16.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 151.99 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 7.2 mm-40 -112.02 151.4 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.28 145.71 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.76 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -113.96 120.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.0 m -161.29 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 42.3 m 59.11 28.19 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.92 -111.71 0.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.305 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.68 114.61 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.007 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.473 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.7 ttm -112.91 131.05 55.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -116.03 118.81 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 111.25 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -103.39 101.35 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -122.49 141.55 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.348 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.93 HG22 HD11 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.02 139.31 41.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.435 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.843 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -139.49 160.86 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 111.382 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 81' ' ' VAL . 13.7 mt-10 -89.41 133.51 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.394 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.802 HG11 HD22 ' A' ' 78' ' ' LEU . 20.6 t -124.0 148.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.94 0.4 . . . . 0.0 111.458 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -126.67 147.8 49.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.744 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -151.37 108.41 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.02 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.96 29.53 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.14 -27.51 16.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 109.53 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.9 tptm -104.28 136.43 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -160.35 175.62 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 99' ' ' THR . 10.5 tp -115.01 121.24 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -121.55 141.28 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.06 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.585 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.0 OUTLIER -93.41 145.45 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.1 131.09 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.6 ptpt -116.26 115.64 26.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 62' ' ' LEU . 21.9 t -106.59 150.15 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.473 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 27.6 t90 -125.85 141.51 51.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.14 126.42 9.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.467 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.5 mp0 -99.93 174.28 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.995 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -116.39 -38.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -82.54 -21.08 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 ttt -97.64 -25.33 15.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.706 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.19 52.08 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.17 150.42 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.8 132.65 12.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.643 ' OE1' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -162.76 175.28 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.707 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.5 tt -87.9 135.04 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 4.3 mp0 -93.68 -58.01 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -145.76 156.73 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 111.686 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.823 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.9 t80 -137.86 109.23 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.181 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.97 151.25 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.065 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.9 p90 -111.47 110.06 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.45 HD12 ' HG ' ' A' ' 110' ' ' LEU . 6.0 mt -87.43 -170.09 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.65 -78.87 0.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -167.03 149.57 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.805 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.33 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 60.51 41.42 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.71 -76.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -157.46 53.51 0.69 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.8 136.86 23.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.584 2.189 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 107.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 154.7 1.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 168.49 21.42 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.565 2.176 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -133.33 156.55 79.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.27 -168.24 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.79 -169.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.12 -174.7 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.18 -177.42 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.44 -176.84 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -90.67 160.12 39.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo -70.66 96.65 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.59 -34.17 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -68.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.98 147.69 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . . . -174.46 148.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -86.34 -42.41 13.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.46 110.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -148.23 151.91 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -132.92 147.57 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.82 -52.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.89 174.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.07 62.95 0.33 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.526 HD12 ' CE2' ' A' ' 57' ' ' PHE . 4.0 mm? -106.24 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -176.48 102.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 32' ' ' GLU . 4.2 pp -106.71 178.99 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' N ' HD12 ' A' ' 31' ' ' LEU . 1.2 pm0 -131.9 125.47 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 60.27 177.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.03 112.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -67.69 74.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 58.85 80.65 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.27 145.18 59.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.609 2.206 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 144.14 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.69 -169.3 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -138.41 87.52 15.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 167.39 25.17 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.555 2.17 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.38 158.47 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -179.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.8 166.7 24.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.16 -165.4 27.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CG ' ' A' ' 89' ' ' GLN . 16.1 mm -81.32 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -170.16 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.99 132.12 53.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.22 52.55 3.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.5 Cg_endo -59.15 -73.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.519 2.146 . . . . 0.0 112.343 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 54' ' ' GLU . 1.4 tt 58.69 56.29 4.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -59.42 -29.46 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -84.37 57.71 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.742 ' HB2' HD23 ' A' ' 51' ' ' LEU . 5.2 tm-20 -100.12 17.26 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.35 -29.58 66.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.89 -52.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.593 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 29' ' ' LEU . 81.3 m-85 -60.23 -43.16 96.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -69.72 -53.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.612 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.4 ptmt -58.15 -45.58 87.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.23 -46.57 83.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.52 -42.47 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.45 -53.75 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.78 -54.34 45.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -37.94 80.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -58.93 -61.93 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.879 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -55.76 -54.08 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.274 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -51.31 -51.93 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -28.67 68.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.03 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.768 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -88.79 -19.22 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.685 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.6 m120 -84.81 -25.91 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.85 -35.15 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -51.69 -43.49 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.84 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.747 0.308 . . . . 0.0 111.373 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 168.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.402 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.21 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.307 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.17 86.36 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -105.47 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -137.96 133.3 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.241 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.99 149.61 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.626 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' HE3' ' A' ' 108' ' ' LYS . 10.4 m -103.76 -37.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt85 174.38 165.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.846 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.6 m -89.63 142.06 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.238 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.879 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -116.86 -15.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.451 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.879 ' HG3' HG13 ' A' ' 84' ' ' VAL . 10.2 mttm -148.22 151.69 35.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -152.96 137.47 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.1 153.47 35.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.9 152.04 25.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.437 ' CG ' HD13 ' A' ' 46' ' ' ILE . 7.3 mt-30 -148.42 154.06 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.718 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.16 116.79 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.274 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.0 101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 48.5 m 60.85 25.77 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.93 -112.61 0.57 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.223 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -144.89 114.72 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -113.9 128.24 56.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.663 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -114.34 123.21 48.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.125 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 5.1 m-85 -110.0 108.96 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -131.73 141.69 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 0.0 111.199 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.959 HG22 HD11 ' A' ' 110' ' ' LEU . 2.3 m -107.7 135.32 49.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.846 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -136.55 159.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 111.325 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.1 mt-10 -89.35 135.99 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.529 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 78' ' ' LEU . 16.2 t -126.81 150.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -126.68 147.58 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.753 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -145.99 106.8 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.039 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.01 29.82 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.64 -27.8 15.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -70.38 109.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 81' ' ' VAL . 7.0 tptm -99.02 139.86 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 16.3 mttm -161.51 173.05 15.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.6 tp -114.61 120.67 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -120.78 146.72 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.59 143.46 30.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -133.97 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.9 ptpt -123.73 117.41 24.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.72 150.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.5 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.4 t90 -127.21 144.38 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -154.54 124.65 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.468 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.9 mp0 -99.77 175.31 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.54 -37.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.411 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -83.57 -20.88 32.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.41 -24.97 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 110.704 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.49 42.1 9.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.21 139.38 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.21 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -162.79 175.31 11.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.879 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.95 137.58 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.514 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -93.29 -61.01 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -146.02 157.19 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 111.378 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.84 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.8 t80 -138.63 106.89 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.267 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.06 151.22 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -108.63 109.73 21.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.3 mt -87.52 -179.42 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.03 -72.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.51 160.23 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.964 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.841 0.353 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.71 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 60.49 80.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.86 -75.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 54.36 13.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HB2' HE22 ' A' ' 89' ' ' GLN . 56.6 Cg_endo -70.62 -28.04 21.61 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.565 2.177 . . . . 0.0 112.358 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -129.11 100.33 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -176.16 165.46 1.75 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 179.84 2.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.616 2.211 . . . . 0.0 112.242 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.444 HG21 ' CZ3' ' A' ' 116' ' ' TRP . 4.4 m -133.39 156.04 80.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.89 -167.97 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.775 2.316 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.5 119.32 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.51 171.8 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -177.59 98.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.53 179.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.773 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.25 168.32 17.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.773 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.9 Cg_endo -72.53 -178.22 3.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 90.41 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.17 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.92 -176.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.88 -169.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -127.17 -45.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.64 -169.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.72 -176.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.44 87.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.75 -43.06 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -149.83 161.91 41.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.22 56.01 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD21 ' CG ' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -108.09 129.47 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.551 ' N ' HD13 ' A' ' 29' ' ' LEU . 4.0 t60 -143.85 106.2 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.658 HD23 ' CD2' ' A' ' 57' ' ' PHE . 0.3 OUTLIER -128.47 141.51 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.639 ' N ' HD13 ' A' ' 31' ' ' LEU . 1.6 tt0 -131.61 97.59 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -121.36 -74.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -152.29 -50.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.91 75.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.55 82.38 0.23 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 177.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.523 2.149 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.5 -174.53 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.72 169.54 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -105.46 87.9 2.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.35 166.0 28.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.535 2.157 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.93 158.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.16 173.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.82 144.57 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.24 -164.76 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.575 HD11 ' OE1' ' A' ' 89' ' ' GLN . 25.5 mm -77.68 69.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -177.5 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -74.47 109.49 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.571 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -175.45 63.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.98 -25.99 23.75 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.185 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.887 HD12 ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 59.67 63.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.69 -29.31 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 4.4 p-10 -83.99 58.19 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.693 ' HG2' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -99.37 17.21 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.41 -30.8 67.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.08 -47.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.553 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.658 ' CD2' HD23 ' A' ' 31' ' ' LEU . 78.4 m-85 -65.95 -40.45 91.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.03 -50.83 37.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.62 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.51 -42.23 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.85 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -57.28 -45.24 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -64.15 -52.94 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.52 -54.31 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -35.27 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.25 -58.49 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.13 -53.83 53.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.0 t -51.4 -51.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -28.04 67.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.63 -41.85 92.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.639 ' OH ' HD21 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -89.8 -19.18 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.639 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.86 -27.06 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.519 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.88 -36.04 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -51.44 -42.95 61.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.372 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -176.69 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.339 . . . . 0.0 111.227 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.26 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.272 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.75 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.72 44.21 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.042 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.995 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -58.89 -178.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.88 134.01 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.313 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -81.62 149.46 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.695 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.516 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -104.54 -37.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 26.8 ptt-85 176.24 164.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.763 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -89.28 142.35 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -118.49 -15.14 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.678 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.905 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.2 mttt -148.04 156.01 42.14 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.938 0.399 . . . . 0.0 111.255 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.887 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.2 130.53 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 155.39 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 2.7 mm-40 -116.94 157.37 25.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.575 ' OE1' HD11 ' A' ' 46' ' ' ILE . 5.9 tt0 -159.19 149.49 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.0 t -111.62 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.32 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.3 m -160.31 100.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.934 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.9 m 60.81 25.13 15.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.15 -112.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -145.46 114.71 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.71 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.8 ttm -111.29 145.59 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 115' ' ' VAL . 0.4 OUTLIER -138.06 118.45 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 3.8 m-85 -101.45 103.82 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.414 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.84 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.05 141.64 47.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 111.375 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.921 HG22 HD11 ' A' ' 110' ' ' LEU . 1.2 m -111.56 132.91 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.432 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.763 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -134.92 161.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 111.331 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 81' ' ' VAL . 10.5 mt-10 -89.34 133.67 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.464 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.995 HG11 HD22 ' A' ' 78' ' ' LEU . 13.2 t -123.88 151.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.473 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -126.67 143.82 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.754 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -143.56 104.02 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.18 29.68 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.36 -27.02 18.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.568 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -69.18 109.52 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.516 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.5 tptm -98.0 133.32 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 20.2 mtpt -156.55 171.0 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.08 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.7 tp -113.19 119.88 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.555 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.3 m-85 -120.08 145.16 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.433 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -99.15 146.01 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.861 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.86 130.24 35.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 5.2 ptpt -113.33 114.47 26.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.443 ' HB ' ' CD2' ' A' ' 96' ' ' HIS . 13.2 t -106.67 150.07 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.71 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.7 t90 -125.81 142.09 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.75 124.19 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.464 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.4 mp0 -99.21 174.3 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.03 -37.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.33 -20.37 34.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -24.47 15.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.17 48.92 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.89 148.45 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.81 128.5 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.79 173.23 14.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.8 tt -87.15 136.55 32.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.698 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -93.83 -55.09 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.249 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -145.32 157.01 44.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 0.0 111.705 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.861 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.8 t80 -136.42 109.54 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.4 p -98.98 151.29 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 111.059 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 23.6 p90 -111.23 110.28 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.419 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.4 mt -87.81 -169.97 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.0 -68.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -176.62 160.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 1.08 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 tpp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.836 0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.97 -42.91 56.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.62 -176.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 61.06 34.15 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 3.5 mt-30 178.55 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 5' ' ' GLN . 53.6 Cg_exo -52.38 140.93 52.17 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.475 2.117 . . . . 0.0 112.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.14 99.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -170.21 160.55 6.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 135.32 30.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.572 2.181 . . . . 0.0 112.291 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -108.87 156.49 38.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.2 Cg_endo -74.53 -168.21 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.609 2.206 . . . . 0.0 112.372 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.69 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 169.66 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.83 93.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -168.84 158.0 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.87 156.99 79.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.4 Cg_endo -70.0 -178.37 2.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.524 2.149 . . . . 0.0 112.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -171.11 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.61 78.09 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -152.39 163.7 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -176.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -131.48 84.59 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.67 143.72 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.32 135.62 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.03 79.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -143.96 -69.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -158.79 -179.02 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.3 103.56 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -138.86 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m80 60.12 -177.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.8 tm? -161.99 -65.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.13 109.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -171.56 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -176.69 -40.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.85 157.65 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.24 109.39 1.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 52.2 Cg_endo -69.17 -167.63 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.435 2.09 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -164.02 -167.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -148.3 -178.5 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -132.43 90.95 32.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.61 166.84 24.54 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -66.77 158.96 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.93 118.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.71 -156.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.53 76.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -171.16 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.5 110.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 86' ' ' ALA . . . -136.64 50.49 3.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 82.4 Cg_endo -77.59 -30.89 3.64 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.113 . . . . 0.0 112.255 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 56.9 tp 56.73 96.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -85.1 -21.33 29.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 5.5 p-10 -94.65 43.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -93.76 17.05 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -65.19 -51.29 61.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.03 -54.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.523 ' CG ' HD11 ' A' ' 29' ' ' LEU . 40.6 m-85 -67.52 -42.9 82.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 53' ' ' ASN . 1.2 m-20 -69.81 -48.09 60.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -59.89 -41.9 92.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.86 -44.26 77.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.4 -45.31 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 115' ' ' VAL . 7.9 tp -65.87 -53.15 43.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.805 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.99 -54.31 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -37.03 84.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.47 -56.42 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.51 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 63' ' ' ALA . 41.8 t -51.79 -55.04 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -64.4 -29.35 70.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.57 -42.36 95.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.62 -19.26 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.682 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.6 m120 -84.65 -25.67 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.605 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.95 -35.49 25.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 111.243 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -51.58 -43.47 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.435 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.83 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.91 170.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.347 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.82 87.13 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.815 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.5 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -138.55 134.87 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.84 149.5 27.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.9 m -103.38 -36.87 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 175.52 164.66 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.782 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.5 m -90.43 141.28 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.784 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -114.33 -19.53 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.346 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.784 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.0 mttt -145.4 153.64 41.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 51' ' ' LEU . . . -153.38 122.15 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 151.58 48.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -110.5 150.61 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.974 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 10.6 tt0 -155.06 153.56 31.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 t -118.74 121.47 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.281 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.563 HG21 ' SD ' ' A' ' 95' ' ' MET . 7.1 m -159.36 98.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.404 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 28.9 t 60.26 27.63 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.32 -113.11 0.58 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.4 mmt -143.99 114.72 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.75 146.59 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.749 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.483 ' CE1' ' HB3' ' A' ' 98' ' ' LEU . 8.1 t-80 -138.0 120.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -105.26 101.74 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.23 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -118.5 141.58 48.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.365 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.945 HG22 HD11 ' A' ' 110' ' ' LEU . 1.9 m -109.04 129.36 55.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.782 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -131.32 160.39 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 111.349 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.9 mt-10 -89.34 134.25 34.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.815 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -123.37 151.14 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 0.0 111.505 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -129.95 149.96 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -154.55 110.03 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.72 29.62 9.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.315 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.0 -27.73 16.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -70.3 109.51 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.8 tptm -106.28 141.13 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 33.4 mttt -163.58 175.86 10.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.074 HD22 ' HB2' ' A' ' 135' ' ' ALA . 18.1 tp -114.2 120.09 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.615 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.6 m-85 -121.56 146.65 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.1 OUTLIER -100.01 144.19 29.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.48 132.66 39.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.207 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 4.4 ptpt -115.68 115.25 26.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 62' ' ' LEU . 21.5 t -106.59 150.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.274 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -125.97 142.77 51.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -152.01 122.06 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.7 mp0 -98.29 174.09 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.52 -37.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.404 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.27 -20.75 33.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -25.01 15.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.36 45.93 6.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.09 139.23 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 126.03 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -162.71 173.4 13.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.5 tt -87.25 139.92 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -97.37 -54.34 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.224 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -145.52 155.98 43.42 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.296 0.57 . . . . 0.0 111.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.8 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.5 t80 -137.42 107.83 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 12.1 p -98.9 151.27 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p90 -109.69 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.5 mt -88.08 -169.6 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.99 -71.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -176.9 160.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 1.074 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.819 0.343 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.02 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.38 30.79 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.43 -50.44 45.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.786 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 6.1 mp0 -73.6 -60.23 1.7 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 58.0 Cg_endo -71.77 -174.42 1.3 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.35 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 39.59 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -140.36 162.44 49.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -179.9 3.28 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -127.51 156.69 74.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.3 Cg_endo -74.35 -168.21 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.84 -169.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.17 171.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.87 -176.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 1.0 OUTLIER -154.77 -174.42 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.52 155.12 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.07 174.26 10.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.578 2.185 . . . . 0.0 112.276 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.49 82.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.27 -62.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 60.62 173.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.24 110.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 60.34 103.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.54 36.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -131.65 151.41 51.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -131.82 -58.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -74.8 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 61.15 112.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.722 ' C ' HD22 ' A' ' 29' ' ' LEU . . . -130.75 -67.44 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.768 HD12 ' CE2' ' A' ' 57' ' ' PHE . 3.9 mm? -133.14 -178.63 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.663 ' O ' HD22 ' A' ' 31' ' ' LEU . 2.7 t60 -67.64 114.52 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.775 HD21 ' OD1' ' A' ' 61' ' ' ASP . 3.1 mm? -134.55 -175.54 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.89 79.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -172.96 -41.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.9 31.12 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 60.22 38.7 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 60.48 87.53 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 172.18 13.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.582 2.188 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.75 162.55 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 -171.95 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 145.65 31.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.48 -170.38 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 tt -115.75 158.66 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.44 149.36 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.18 166.58 22.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.88 -155.41 31.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.714 HD13 ' HG2' ' A' ' 89' ' ' GLN . 16.5 mm -94.89 75.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -177.31 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.07 127.56 32.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -142.72 52.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 75.9 Cg_endo -77.49 -33.39 2.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.553 2.168 . . . . 0.0 112.409 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 86' ' ' ALA . 2.3 tt 56.88 76.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.84 -56.17 25.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.06 67.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -105.63 17.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -58.81 -30.87 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.61 -49.95 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.768 ' CE2' HD12 ' A' ' 29' ' ' LEU . 85.4 m-85 -64.79 -37.49 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.01 -50.65 39.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.678 ' HE3' HG22 ' A' ' 83' ' ' VAL . 11.5 ptmt -60.24 -38.42 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HG3' HD23 ' A' ' 29' ' ' LEU . 4.1 mm-40 -67.95 -56.01 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.775 ' OD1' HD21 ' A' ' 31' ' ' LEU . 2.7 m-20 -58.55 -42.14 87.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -61.78 -53.58 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.87 -54.28 46.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.11 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -58.6 -59.09 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.52 -53.5 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.5 t -51.31 -50.98 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -28.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.7 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -41.63 96.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -90.34 -20.06 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.687 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.94 -23.8 28.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -83.41 -35.63 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.393 -179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.82 -45.67 59.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.85 -32.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.593 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.15 173.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.239 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.59 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.79 80.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -103.16 -176.88 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.713 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -138.98 140.58 38.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.33 149.44 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 28.2 m -104.18 -38.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 9.3 ptm180 178.13 165.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.817 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.773 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.53 143.83 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.802 HG13 ' HG3' ' A' ' 85' ' ' LYS . 7.7 p -117.85 -17.56 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.802 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.1 mttt -146.33 156.13 43.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.188 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.72 125.76 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 148.51 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -116.8 127.47 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.714 ' HG2' HD13 ' A' ' 46' ' ' ILE . 35.5 mt-30 -136.62 153.51 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -113.06 122.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -161.01 99.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.403 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.3 m 60.66 25.52 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.772 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.71 -112.37 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.186 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -145.26 114.67 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.8 ttm -117.94 129.79 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -118.23 120.04 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.242 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.559 ' CD1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -99.07 94.43 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.65 141.59 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.419 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 110' ' ' LEU . 2.7 m -113.32 135.17 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.284 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.773 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -135.68 161.47 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.38 134.13 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 78' ' ' LEU . 13.9 t -123.6 154.6 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -130.92 146.36 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.773 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -145.62 106.82 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.04 29.72 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.267 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.56 -27.7 15.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -69.79 109.55 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -99.26 140.41 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 mttt -162.21 173.41 14.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.7 tp -114.15 119.77 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.8 m-85 -120.39 143.03 48.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.661 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.01 144.72 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.12 130.16 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.2 ptpt -119.43 117.76 29.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.67 150.11 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.5 t90 -125.49 143.32 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 22.6 tt0 -153.28 123.71 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.75 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.6 mp0 -100.26 174.45 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.38 -37.84 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.7 p90 -82.56 -21.17 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.61 -25.04 15.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.69 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.35 45.08 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -132.45 140.52 48.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.55 127.4 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -162.7 173.78 13.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.0 tt -77.99 139.9 39.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.74 -60.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -146.23 157.13 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.322 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.882 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.9 t80 -137.67 109.98 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.233 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.8 p -98.95 150.84 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.114 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.447 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 17.0 p90 -109.74 105.85 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.482 HD12 ' HG ' ' A' ' 110' ' ' LEU . 1.9 mt -88.54 175.08 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.73 -74.8 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -173.55 158.84 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.975 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.828 0.347 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.72 -30.96 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.25 -22.9 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 62.78 95.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 2.4 mm-40 -178.47 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 5' ' ' GLN . 55.3 Cg_endo -69.93 161.33 46.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.473 2.115 . . . . 0.0 112.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tttp 61.32 86.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -176.8 158.29 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.21 -179.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.579 2.186 . . . . 0.0 112.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -141.56 156.34 66.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.6 Cg_endo -74.8 -168.1 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.47 119.57 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.92 156.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.96 83.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.75 148.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -110.48 158.58 35.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.5 Cg_endo -71.93 139.94 34.06 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.533 2.156 . . . . 0.0 112.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.43 -176.35 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.22 -179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.81 176.2 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.3 109.29 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.33 109.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.84 161.58 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -134.97 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -105.4 -46.79 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -160.33 88.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.49 160.87 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.49 -36.28 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -94.27 133.35 37.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.482 ' N ' HD13 ' A' ' 29' ' ' LEU . 8.2 m80 -78.76 -176.36 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.32 -168.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 61.84 79.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -138.19 -68.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.78 -30.63 26.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' A' ' 16' ' ' ALA . 55.3 tp60 -169.32 145.53 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -105.67 87.73 2.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 170.1 17.32 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.55 2.167 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -176.53 153.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -88.08 149.34 45.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -168.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.561 2.174 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -121.06 134.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 ptp 45.58 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.352 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.778 ' HA3' HG23 ' A' ' 90' ' ' VAL . . . -145.02 167.31 27.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.22 131.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' OE1' ' A' ' 89' ' ' GLN . 27.3 mm -96.01 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.91 31.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -123.29 -67.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 56.43 52.96 7.14 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -76.68 -44.95 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.394 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 86' ' ' ALA . 6.1 tt 52.01 73.02 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -59.67 -54.54 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.16 73.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' HB3' HD23 ' A' ' 51' ' ' LEU . 8.5 pt-20 -105.61 17.13 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -59.0 -30.71 68.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.4 -46.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' HD11 ' A' ' 29' ' ' LEU . 27.2 m-85 -66.5 -35.06 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.77 -50.35 25.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -60.42 -41.27 93.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.26 -44.55 68.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.42 -45.66 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -67.46 -53.19 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.823 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -50.75 -54.27 24.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.83 -38.84 92.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.719 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.54 -53.57 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.712 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.27 -54.15 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.3 t -52.54 -52.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -66.46 -28.71 68.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.83 -42.51 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -89.28 -18.8 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.749 ' OD1' HD11 ' A' ' 78' ' ' LEU . 8.8 m120 -85.51 -26.59 26.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.563 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -81.31 -35.61 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.243 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -42.13 60.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -176.17 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.299 . . . . 0.0 111.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.06 169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.52 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 88.75 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.91 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.49 -176.41 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -138.83 133.17 31.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.46 149.51 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.5 m -104.1 -36.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt180 175.47 164.78 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.0 m -89.86 141.46 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.907 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -116.23 -14.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.487 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.907 ' HG3' HG13 ' A' ' 84' ' ' VAL . 19.0 mttt -147.68 155.88 42.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.48 127.42 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -135.14 158.72 43.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.92 150.39 43.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 46' ' ' ILE . 3.0 tp60 -156.47 149.67 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.778 HG23 ' HA3' ' A' ' 44' ' ' GLY . 20.2 t -110.69 122.62 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.8 m -160.23 97.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.4 m 60.5 27.24 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.27 -112.1 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.267 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.42 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.4 mmt -147.82 114.73 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.969 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.426 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 7.2 ttm -114.95 141.72 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.22 127.61 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.163 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -108.65 95.72 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.506 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.51 141.72 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.405 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.954 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -111.61 135.23 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.392 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.871 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.9 m -137.17 158.49 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.329 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.34 132.74 34.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 78' ' ' LEU . 21.8 t -119.3 151.74 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.987 0.422 . . . . 0.0 111.534 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.44 146.94 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.586 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -137.75 86.66 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.57 31.44 7.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.424 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.67 -39.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.36 109.42 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 8.8 tptm -107.88 140.35 41.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 13.9 mttp -165.24 176.09 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 99' ' ' THR . 11.7 tp -115.94 121.76 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.1 m-85 -121.78 142.67 49.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.534 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -93.13 141.15 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.89 130.05 39.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HZ1' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -118.25 118.02 30.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.71 150.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.6 t90 -126.58 141.84 51.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.45 126.02 9.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.752 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.89 175.12 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.75 -37.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -83.87 -21.2 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -25.2 15.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.21 41.89 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.07 140.98 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 130.32 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -162.68 173.92 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.274 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.712 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.5 tt -80.9 133.76 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.663 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -88.21 -63.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -146.55 157.21 43.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.149 0.499 . . . . 0.0 111.344 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.765 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 11.4 t80 -135.82 107.45 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.302 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.53 HG23 ' HZ1' ' A' ' 114' ' ' LYS . 17.8 p -98.94 150.02 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.025 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 34.5 p90 -106.41 111.1 23.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.89 -169.87 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -103.57 83.3 0.41 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 47.29 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.707 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.059 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.83 0.347 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.12 -29.85 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 61.71 30.16 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -72.1 -48.48 43.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 2.3 mp0 -73.11 -60.21 1.88 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 58.6 Cg_endo -72.02 170.57 18.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.483 2.122 . . . . 0.0 112.294 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG3' HG12 ' A' ' 91' ' ' VAL . 0.1 OUTLIER 60.94 79.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 149.43 0.85 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.94 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -148.78 156.57 41.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.9 Cg_endo -74.36 -168.16 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.6 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.12 150.57 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -176.85 102.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.63 167.99 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.55 154.16 81.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.41 113.76 3.72 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.555 2.17 . . . . 0.0 112.313 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.34 -171.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.0 -75.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -106.22 136.58 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.1 115.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -106.0 -37.66 6.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.92 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.12 117.9 20.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -156.54 -67.35 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -178.6 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.19 113.66 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.09 -98.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 57' ' ' PHE . 4.3 mm? -105.02 171.86 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.81 158.32 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tp -176.56 157.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.41 -32.23 71.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 60.57 -179.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -175.22 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -171.11 35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 60.13 83.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.0 -176.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -174.38 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.85 -179.6 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -128.65 88.35 52.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' A' ' 96' ' ' HIS . 55.0 Cg_endo -69.78 160.59 49.14 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.567 2.178 . . . . 0.0 112.312 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.2 tp -92.9 154.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.574 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -55.35 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -177.71 20.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.72 -172.15 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.6 mm -81.62 78.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -177.55 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.74 146.42 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -163.11 52.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.4 Cg_endo -77.23 -32.21 3.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.739 HD22 ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER 57.28 89.34 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -79.59 -30.96 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -86.66 66.22 9.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.739 ' CG ' HD22 ' A' ' 51' ' ' LEU . 35.7 mt-10 -104.8 17.09 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -62.4 -31.28 71.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.67 -49.74 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 29' ' ' LEU . 32.4 m-85 -68.4 -37.18 80.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.61 -46.33 54.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.5 ptmt -63.53 -41.79 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.02 -49.21 59.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -57.21 -43.45 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.779 HD21 HD22 ' A' ' 98' ' ' LEU . 7.4 tp -65.71 -52.97 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.74 -54.38 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -36.35 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.74 -57.33 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.878 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.12 -54.1 48.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.7 t -51.36 -53.2 16.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -66.95 -29.21 69.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.1 p90 -91.4 -20.1 22.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.678 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.2 m120 -84.92 -23.01 29.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.701 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.98 -35.95 23.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.334 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -50.63 -46.03 58.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.49 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -176.87 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.507 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.02 173.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.897 0.38 . . . . 0.0 111.274 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.08 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.208 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.09 86.45 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.78 -177.49 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -138.61 133.09 32.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.8 149.52 29.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.534 HG21 ' HE2' ' A' ' 108' ' ' LYS . 11.2 m -104.18 -36.61 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.3 ptt85 176.63 163.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.839 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.2 m -91.34 141.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.345 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.2 p -115.84 -17.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.3 mttt -147.06 156.72 43.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -162.02 122.59 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -130.39 154.36 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -125.14 150.24 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -157.46 160.04 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 t -108.52 123.5 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.395 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' SD ' ' A' ' 95' ' ' MET . 12.5 m -158.94 95.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 14.1 m 61.25 26.73 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.12 -111.69 0.55 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.092 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.2 mmt -146.31 114.72 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 1.7 ttt -111.96 146.14 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.764 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 41' ' ' PRO . 8.8 t60 -138.0 117.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.4 m-85 -102.53 103.91 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.779 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.36 141.69 48.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.997 0.427 . . . . 0.0 111.526 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.958 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.68 129.79 55.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.321 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.839 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -133.13 161.15 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 111.397 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.1 mt-10 -89.31 130.67 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.423 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 78' ' ' LEU . 17.2 t -120.5 149.59 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -127.57 144.96 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.649 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.38 109.68 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.01 29.41 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.8 15.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -67.57 109.5 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.534 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.88 132.11 47.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -158.12 173.56 16.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.153 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.0 tp -114.87 121.39 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.599 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.0 m-85 -120.84 147.43 45.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.9 OUTLIER -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.31 131.45 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 6.9 ptpt -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.63 150.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.257 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.715 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.3 t90 -125.62 142.79 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 121.19 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.84 174.04 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.76 -38.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -82.55 -21.25 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -25.2 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.4 46.53 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -132.42 137.97 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.44 125.26 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.404 ' OE1' ' CE1' ' A' ' 123' ' ' PHE . 1.9 pt20 -162.71 174.95 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.878 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.4 tt -87.55 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -94.21 -59.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -141.62 157.17 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.23 0.538 . . . . 0.0 111.758 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.1 t80 -136.81 109.1 7.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.086 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -98.97 151.28 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.073 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 31.2 p90 -111.1 110.98 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.8 mt -87.33 -170.17 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.32 -68.01 1.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -176.08 161.23 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.799 0.333 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.54 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . . . -59.47 -46.29 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.24 106.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -160.53 68.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.9 mm100 59.37 53.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.602 ' O ' HG11 ' A' ' 91' ' ' VAL . 57.6 Cg_endo -71.27 -45.41 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.586 2.191 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -116.81 106.21 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -174.45 150.52 1.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.86 179.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -140.67 155.82 69.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.7 -167.99 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.59 119.7 12.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.56 161.5 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.66 177.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 72.99 86.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -56.53 167.68 0.94 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.196 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo -71.56 170.49 18.43 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.179 . . . . 0.0 112.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.26 99.47 9.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.06 109.19 20.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.38 -37.58 85.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.41 136.31 27.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.9 154.24 47.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.58 -169.94 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -137.44 133.33 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -148.08 -56.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -60.39 134.09 56.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 60.33 170.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.67 28.4 15.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 29' ' ' LEU . 1.5 mm? -105.71 -172.92 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -174.69 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 2.8 tp -158.6 147.21 18.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.48 157.77 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -65.63 79.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -161.5 -175.38 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -176.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -102.96 91.91 3.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 155.29 70.82 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.464 2.109 . . . . 0.0 112.302 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -174.28 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.42 178.6 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -112.99 88.51 12.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.3 170.68 15.46 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.545 2.163 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -114.94 158.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -176.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.97 138.3 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -163.89 0.12 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.85 HD12 ' NE2' ' A' ' 89' ' ' GLN . 16.9 mm -87.88 53.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -174.12 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.69 118.98 5.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -165.73 63.27 0.87 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.25 -27.52 38.6 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.462 2.108 . . . . 0.0 112.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 57.67 69.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.54 -31.98 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.2 52.58 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.19 17.17 13.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -58.49 -30.46 67.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.04 -44.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.746 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 3.0 t80 -65.58 -43.35 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -67.63 -52.32 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -57.7 -41.72 82.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.54 -43.87 79.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.562 ' OD1' HD11 ' A' ' 31' ' ' LEU . 2.8 m-20 -58.78 -45.72 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -66.26 -53.59 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.803 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.09 -54.3 31.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.23 -38.48 89.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.677 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.82 -57.29 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.89 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.14 -53.94 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 63' ' ' ALA . 47.4 t -51.44 -51.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 16' ' ' ALA . 11.4 ttp180 -67.02 -28.22 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -42.61 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.08 -19.17 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.09 -26.08 27.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.24 -35.24 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.236 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -51.76 -43.28 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.415 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.63 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.376 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.41 169.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.05 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.97 90.47 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.69 HD11 ' OD1' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -107.56 -176.21 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.17 133.01 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -83.24 149.46 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.692 HG21 ' NZ ' ' A' ' 108' ' ' LYS . 30.3 m -104.69 -35.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.265 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.655 ' HG2' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER 174.45 163.72 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.859 HG12 ' CG1' ' A' ' 100' ' ' VAL . 8.5 m -88.33 141.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.914 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -116.38 -13.87 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.569 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.914 ' HG3' HG13 ' A' ' 84' ' ' VAL . 14.1 mttm -148.12 156.86 43.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.785 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.59 130.63 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -136.97 149.99 47.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -112.5 133.81 54.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.85 ' NE2' HD12 ' A' ' 46' ' ' ILE . 1.2 mt-30 -134.29 157.93 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -124.06 118.05 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 6' ' ' PRO . 4.2 m -159.94 102.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 49.2 m 58.91 23.62 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.84 -115.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.179 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.3 mmt -144.82 114.69 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.452 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.04 143.44 43.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.24 116.89 18.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.224 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.76 97.32 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.408 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.504 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.81 141.62 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.31 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.894 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.02 138.27 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.354 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.859 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.07 156.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.284 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.41 124.75 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 78' ' ' LEU . 20.3 t -113.91 152.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.592 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -125.32 145.34 50.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -131.01 86.65 2.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.84 29.51 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.02 -38.29 2.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.85 109.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.692 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 3.7 tptt -99.96 139.33 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -163.87 174.02 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 99' ' ' THR . 13.9 tp -116.97 121.55 41.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.667 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.4 m-85 -120.59 144.08 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.93 137.12 34.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -128.34 126.97 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.457 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 7.0 ptpt -115.22 116.14 27.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.864 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.7 p -106.59 150.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.466 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.8 t90 -126.15 141.71 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.08 129.08 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.47 HE22 ' CB ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -105.35 176.71 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.1 -36.57 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.0 p90 -84.22 -21.97 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -24.73 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.723 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.61 41.74 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.47 ' CB ' HE22 ' A' ' 118' ' ' GLN . 1.8 m-85 -128.05 138.13 52.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 127.45 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -162.71 171.82 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.89 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -78.51 136.56 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.748 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -91.67 -61.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.38 157.23 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.099 0.476 . . . . 0.0 111.418 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.796 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.3 t80 -137.93 105.82 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.262 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.2 p -99.06 150.88 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 36.7 p90 -106.09 111.23 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.51 -170.66 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.68 82.96 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 47.27 -175.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.966 0.413 . . . . 0.0 111.595 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.791 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.814 0.34 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.98 -55.45 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -72.2 -25.11 61.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 59.76 30.77 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mt-30 -87.46 -52.8 0.4 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 60.4 Cg_exo -51.55 163.9 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.485 2.123 . . . . 0.0 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tttp 60.65 84.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 149.2 0.87 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 177.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -148.87 156.59 40.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.8 Cg_endo -74.46 -168.17 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.188 . . . . 0.0 112.367 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.85 119.71 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.24 167.28 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -176.75 100.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -176.51 166.67 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -135.09 160.42 68.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo -70.53 123.22 9.65 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.548 2.165 . . . . 0.0 112.374 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.09 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.02 110.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.9 mp0 -162.06 119.96 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.41 159.03 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.88 -65.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.28 150.31 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.77 133.41 35.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -149.67 -69.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -104.33 126.11 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -105.36 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.7 172.76 48.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.54 -51.79 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -175.24 83.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.65 142.72 41.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -74.87 176.84 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 81.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -143.56 -176.72 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -65.11 -178.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -106.98 80.07 0.75 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 172.46 12.84 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.559 2.173 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.55 165.23 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.76 -175.24 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -102.08 148.93 36.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.97 -174.92 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.585 2.19 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.16 158.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 129.0 39.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.8 -161.67 27.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.24 -176.12 14.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.599 HD11 ' OE1' ' A' ' 89' ' ' GLN . 25.1 mm -75.38 79.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.23 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.27 -177.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -172.88 64.99 0.34 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 25.6 Cg_exo -62.35 -65.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 54.93 53.92 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -58.14 -30.71 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -83.87 58.37 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.61 17.14 18.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -58.52 -30.97 67.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.37 -49.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.79 -40.69 88.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -69.05 -49.43 57.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HE3' HG22 ' A' ' 83' ' ' VAL . 8.7 ptmt -60.5 -40.99 93.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -65.77 -50.25 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.55 -43.47 89.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.801 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -61.66 -53.62 53.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.2 -54.35 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -35.71 77.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.61 -58.17 9.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.761 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.962 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.42 -54.62 44.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.4 t -52.11 -55.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -63.59 -29.25 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -64.94 -43.06 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -89.55 -15.51 32.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.519 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.6 m120 -86.48 -33.6 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.432 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.93 -35.94 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.303 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -43.64 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.448 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -176.87 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.405 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.23 171.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.12 -168.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.327 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -119.07 40.49 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -54.61 171.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -136.89 132.48 34.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.92 149.44 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.733 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG23 ' HG2' ' A' ' 82' ' ' ARG . 9.3 m -104.31 -37.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 176.85 164.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -88.54 142.35 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.939 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -118.17 -14.98 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.564 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.939 ' HG3' HG13 ' A' ' 84' ' ' VAL . 12.0 mttt -147.96 156.32 42.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.893 0.378 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.04 130.1 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.035 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 152.76 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -111.77 159.76 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -164.5 142.87 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.732 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -107.09 120.52 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 90' ' ' VAL . 6.8 m -159.32 97.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m 60.6 26.77 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.35 -113.03 0.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -144.57 114.71 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.599 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -112.41 145.0 40.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -138.02 116.66 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.198 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.7 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.244 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.801 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.96 141.65 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.487 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.978 HG22 HD11 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -109.7 134.42 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.776 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -135.56 161.61 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.396 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.6 mt-10 -89.24 131.14 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.235 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 78' ' ' LEU . 18.3 t -124.62 143.03 39.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 0.0 111.706 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -120.09 148.76 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.552 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -148.08 105.08 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.99 30.33 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.96 -27.47 17.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -68.88 109.57 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 81' ' ' VAL . 1.3 tptp -97.23 132.12 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.3 mttm -156.79 172.27 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.7 tp -115.27 120.92 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 6.9 m-85 -120.22 143.81 48.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -98.17 147.97 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.47 133.03 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 8.0 ptpt -115.1 116.77 28.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.49 150.14 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.176 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.599 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -127.47 141.78 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -150.79 121.87 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -97.66 173.48 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.26 -38.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 42.4 p90 -82.44 -21.18 35.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -25.16 14.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.762 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.19 53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.0 139.78 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.07 126.43 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -162.79 173.35 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 111.206 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.962 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -86.18 139.95 30.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.757 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 13.5 mp0 -98.51 -54.78 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -145.59 155.86 43.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.332 0.587 . . . . 0.0 111.79 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.0 t80 -136.03 109.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.003 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.9 151.36 20.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.8 p90 -112.2 109.89 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.7 mt -87.58 -169.88 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.23 -70.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -176.36 158.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.98 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.51 -27.52 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 62.1 29.07 17.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.01 -45.2 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.722 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.9 mp0 -74.47 -54.02 3.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.989 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 72.7 Cg_endo -77.04 176.21 10.42 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.528 2.152 . . . . 0.0 112.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.42 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -177.24 151.84 0.94 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.2 179.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 112.304 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.97 156.45 79.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.67 -168.11 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.623 2.216 . . . . 0.0 112.289 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.2 119.72 29.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.42 142.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -177.0 79.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -169.37 161.89 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -109.7 164.18 15.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.1 Cg_endo -71.65 128.28 14.13 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.6 2.2 . . . . 0.0 112.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.93 -176.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.89 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -164.61 163.2 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.12 173.7 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -169.38 122.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.11 135.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -176.44 152.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -162.48 35.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.0 -50.04 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -140.2 177.82 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.14 75.53 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 29' ' ' LEU . 12.7 mt -157.95 117.38 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 t60 -64.45 162.12 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -176.71 -168.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 61.31 89.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -127.55 -49.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -143.82 75.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.72 37.98 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 60.62 87.96 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.25 -176.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.205 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 179.81 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -131.24 -176.58 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -131.08 87.93 46.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.36 173.85 10.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -81.35 158.54 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.94 160.18 9.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.18 -167.2 29.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 20.6 mm -82.49 78.81 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 1.9 m-85 -176.57 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.5 152.49 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -166.21 53.29 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -75.97 -35.71 2.36 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.579 2.186 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.567 HD13 ' OE2' ' A' ' 54' ' ' GLU . 3.3 tt 55.99 62.46 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.01 -32.89 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -83.03 58.19 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.567 ' OE2' HD13 ' A' ' 51' ' ' LEU . 5.5 tt0 -105.65 17.09 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -58.49 -30.73 67.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.74 -53.52 0.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.3 t80 -65.99 -40.68 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.75 -49.01 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 83' ' ' VAL . 5.8 ptmt -60.13 -44.2 95.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.22 -43.84 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.706 ' HA ' HD21 ' A' ' 31' ' ' LEU . 4.1 m-20 -58.73 -45.41 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 98' ' ' LEU . 8.0 tp -66.25 -53.83 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.83 -53.57 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.31 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.34 -55.36 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.09 -54.8 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 63' ' ' ALA . 56.6 t -51.36 -51.13 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.98 67.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -64.57 -40.67 95.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.609 ' OH ' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -91.23 -20.01 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.454 ' OD1' HG12 ' A' ' 67' ' ' VAL . 9.7 m120 -84.72 -23.94 29.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.654 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.21 -36.28 24.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 111.407 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -50.16 -45.52 53.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.5 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -176.6 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.489 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.5 178.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.58 -175.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.51 44.83 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.8 pp -59.76 178.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.41 119.25 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -69.85 149.47 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 108' ' ' LYS . 11.1 m -103.6 -36.29 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.8 ptt85 174.86 165.81 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -88.41 140.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.37 -17.72 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.386 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.801 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.5 mttt -145.81 153.6 41.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.56 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.92 132.01 10.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 154.9 47.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -112.81 142.32 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -141.48 154.48 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.14 117.93 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.5 m -160.24 100.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 70.4 m 60.51 25.89 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.02 -113.09 0.58 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.161 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.8 mmt -145.95 114.63 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.16 124.38 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -108.28 126.25 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.278 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -112.76 97.43 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.297 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.9 pt? -123.74 141.59 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.42 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -106.72 139.49 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.486 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.766 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -137.0 160.82 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.515 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -89.31 140.61 29.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.013 HG21 ' CE2' ' A' ' 111' ' ' TYR . 14.8 m -113.96 151.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.469 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -135.17 135.94 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.673 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -137.26 86.72 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.59 30.24 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.367 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -39.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 109.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.752 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.7 tptm -105.96 133.49 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -153.49 -178.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.123 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -130.17 113.9 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 1.013 ' CE2' HG21 ' A' ' 102' ' ' VAL . 10.5 m-30 -117.4 141.31 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.607 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.94 142.21 27.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.04 133.24 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.4 ptpp? -123.78 115.87 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.75 150.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.251 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.3 t90 -122.65 142.84 50.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 27.1 tt0 -153.89 127.1 8.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.478 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.0 mp0 -100.15 175.33 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -114.97 -37.33 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.415 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.5 p90 -83.52 -21.42 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.995 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.3 tpp -97.28 -25.3 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.657 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.37 38.55 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 142.02 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -148.08 133.2 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.746 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -162.77 170.66 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -77.4 132.72 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.29 -62.33 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.979 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -147.06 156.63 43.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 111.327 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.6 t80 -137.41 109.14 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 6.6 p -98.98 151.4 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.834 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 26.6 p90 -111.32 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.46 -170.41 2.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.94 -70.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -176.96 166.87 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 1.123 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.786 0.327 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 46' ' ' ILE . . . -59.22 -29.94 67.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 61.58 77.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -112.73 56.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.9 mm-40 61.0 53.26 2.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 74.5 Cg_endo -75.06 126.39 9.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tttt 62.05 116.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -177.16 166.4 1.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.52 125.86 13.97 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.214 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -93.41 156.11 40.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.4 Cg_endo -75.24 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.27 119.69 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.28 159.66 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -177.27 87.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.59 176.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.92 163.28 52.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo -71.75 162.12 43.04 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.507 2.138 . . . . 0.0 112.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.83 -41.21 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 170.53 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 154.57 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.14 82.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.14 161.16 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.83 -176.08 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -131.78 170.68 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 60.56 31.63 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -158.64 -74.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.61 148.34 37.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.19 42.36 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.767 HD11 ' CD2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -131.99 127.4 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.551 ' N ' HD13 ' A' ' 29' ' ' LEU . 1.9 t60 -108.86 -175.18 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -176.35 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 60.78 36.65 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -125.95 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.52 162.37 20.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 71.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 59.18 82.59 0.23 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 40.7 Cg_exo -56.95 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -163.77 -167.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -157.71 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.43 91.12 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 169.65 17.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.166 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.11 158.8 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 173.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.4 -173.92 45.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 -163.83 11.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.749 HD11 ' OE1' ' A' ' 89' ' ' GLN . 19.8 mm -82.93 63.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.984 0.421 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -177.09 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.46 133.28 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.02 64.36 40.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 20.1 Cg_exo -65.46 -66.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.614 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 56.58 54.18 7.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.933 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -58.41 -30.76 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.61 58.01 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.53 17.24 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -58.44 -42.98 88.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.3 -47.8 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.559 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.767 ' CD2' HD11 ' A' ' 29' ' ' LEU . 89.0 m-85 -66.13 -39.02 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.07 -50.09 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.3 ptmt -59.78 -41.65 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.98 -45.36 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.55 -48.02 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -64.18 -53.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.27 -54.42 36.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -36.18 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.72 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.55 -59.54 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.67 -53.88 53.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.3 t -51.35 -52.76 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.69 -30.96 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' HD22 ' A' ' 126' ' ' LEU . 14.4 tm-20 -62.64 -41.65 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -92.02 -17.25 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.733 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.0 m120 -88.07 -20.49 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.535 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -35.0 21.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.71 0.291 . . . . 0.0 111.292 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.18 -85.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.375 -179.529 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -147.44 13.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.325 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.1 t30 -84.96 -165.55 1.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.11 -164.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 88.12 2.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.896 HD22 HG11 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -111.42 -177.52 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -140.98 127.63 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.75 149.45 39.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG21 ' HE3' ' A' ' 108' ' ' LYS . 9.5 m -104.17 -37.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.2 ptt180 174.65 166.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.831 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.97 142.03 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.222 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.861 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -117.04 -15.13 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.529 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.861 ' HG3' HG13 ' A' ' 84' ' ' VAL . 9.6 mttm -147.63 155.94 42.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.094 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.614 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.41 126.97 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 160.8 37.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG2' ' CE1' ' A' ' 96' ' ' HIS . 64.3 mt-10 -117.13 158.91 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.749 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -162.51 141.67 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -108.72 121.19 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.277 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.6 m -160.1 96.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.4 m 61.41 25.84 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.82 -114.17 0.61 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.223 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -145.9 114.67 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 3.2 ttm -113.42 139.23 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.436 ' CE1' ' HG2' ' A' ' 88' ' ' GLU . 12.7 t60 -126.2 121.42 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.112 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -101.9 94.0 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.92 141.7 47.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.419 -179.4 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.938 HG22 HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -111.26 137.26 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.408 179.45 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.831 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.74 160.42 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 0.0 111.355 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.4 mt-10 -89.43 135.47 33.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.896 HG11 HD22 ' A' ' 78' ' ' LEU . 17.0 t -124.3 150.41 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.425 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -128.03 146.23 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.78 106.19 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.34 29.98 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.94 -27.33 17.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -69.23 109.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 tptm -100.06 137.03 39.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.1 mtmt -159.9 171.92 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.938 HD11 HG22 ' A' ' 99' ' ' THR . 11.9 tp -114.48 120.92 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.6 m-85 -120.03 140.95 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.35 142.58 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.873 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.8 129.68 34.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.7 ptpt -119.18 117.98 30.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.59 150.14 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.9 t90 -125.51 142.65 51.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 1.4 tm-20 -152.45 125.74 8.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.29 175.09 5.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.64 -37.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -84.76 -21.0 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -24.93 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.07 139.18 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -145.56 128.6 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -162.71 172.71 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -77.61 138.87 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.17 -61.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -146.12 157.16 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 111.314 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.873 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.9 t80 -138.27 108.75 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.362 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.9 p -98.94 151.22 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 22.1 p90 -109.33 106.88 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.2 mt -88.32 175.52 7.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -58.76 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -161.13 154.67 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.766 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG3' ' CD2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.03 -52.15 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.82 79.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -67.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.4 mt-30 -142.12 53.17 2.93 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 74.5 Cg_endo -75.14 137.08 20.94 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.57 2.18 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 60.92 112.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -172.27 154.27 3.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.04 127.73 15.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.258 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.3 m -100.25 156.13 35.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 72.5 Cg_endo -75.0 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.85 119.56 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 175.26 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.99 84.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -168.53 -176.96 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -152.95 162.02 27.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo -70.53 83.66 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.545 2.164 . . . . 0.0 112.318 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.9 171.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.64 -31.21 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -172.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.52 108.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -132.45 -174.63 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.57 35.84 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -106.15 31.62 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -106.5 164.03 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -106.11 96.39 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 60.61 -176.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 -106.09 2.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 18.0 mt -144.66 179.7 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -106.19 -177.96 3.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 32' ' ' GLU . 3.3 tt -170.67 148.77 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 14.7 tt0 -60.35 161.3 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.82 88.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -173.8 172.91 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.38 -179.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' OE1' HD13 ' A' ' 31' ' ' LEU . 5.1 mm-40 -106.24 86.42 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 179.4 3.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.207 . . . . 0.0 112.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.59 173.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.22 -171.96 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -104.9 149.15 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -172.85 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.52 2.147 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.76 158.52 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ptp -58.48 144.77 41.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.59 -175.75 44.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.17 -162.62 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 15.5 mm -87.42 68.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 1' ' ' MET . 0.7 OUTLIER -177.02 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.52 140.17 47.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -141.23 53.0 3.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.3 Cg_endo -59.39 -74.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.592 2.195 . . . . 0.0 112.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.919 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 58.49 71.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -60.14 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -85.26 64.6 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.64 17.18 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.38 -37.13 74.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -48.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 29' ' ' LEU . 61.8 m-85 -64.72 -39.0 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.88 -51.01 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.797 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.5 ptmt -59.84 -38.46 82.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.1 -52.04 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -58.31 -43.82 88.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 98' ' ' LEU . 6.9 tp -61.88 -53.33 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.99 -54.27 45.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -37.5 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.86 -58.8 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.754 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.02 -53.69 55.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 63' ' ' ALA . 53.5 t -51.36 -50.37 28.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -67.77 -28.83 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.37 -41.92 96.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.74 -20.15 23.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.5 m120 -84.89 -23.73 28.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.735 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.67 -35.79 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.708 0.289 . . . . 0.0 111.4 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.3 -45.21 54.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.77 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.548 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.72 173.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.201 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.02 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.85 88.4 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -176.47 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.738 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -139.02 133.87 32.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -81.83 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.716 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -104.04 -36.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HG2' HG23 ' A' ' 81' ' ' VAL . 11.7 ptt180 176.09 164.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -89.88 142.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.897 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -116.79 -14.85 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.515 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.897 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -147.74 155.89 42.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.919 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -160.54 121.78 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.19 151.93 51.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.19 133.55 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HG3' ' CD1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -130.99 155.59 46.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -121.61 117.59 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.61 102.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 17.6 m 60.15 26.36 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.788 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.43 -112.35 0.57 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.152 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.476 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.6 mmt -147.48 114.7 6.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 2.8 ttm -113.05 128.64 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -112.04 117.18 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.235 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.6 m-85 -103.11 98.63 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -118.46 141.66 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.45 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.843 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.22 135.13 52.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.402 179.527 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -137.42 158.96 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.267 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.0 mt-10 -89.35 130.93 35.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.441 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -119.5 150.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -126.06 146.14 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.667 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -151.6 111.46 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.79 29.36 7.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.365 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.24 -27.91 15.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.549 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 109.48 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.785 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 2.7 tptm -105.3 131.58 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 1.1 mtpp -157.68 178.2 10.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 99' ' ' THR . 11.3 tp -116.89 121.99 43.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.671 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' N ' HD12 ' A' ' 110' ' ' LEU . 6.1 m-85 -121.18 144.45 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.53 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.7 140.81 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.049 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.864 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.31 127.41 37.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -116.48 117.26 29.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.001 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.64 150.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.8 t90 -123.7 143.09 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -152.62 123.26 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -100.02 174.2 6.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.948 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.45 -38.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.4 p90 -83.0 -21.19 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.92 -25.23 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.76 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.48 44.35 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.72 138.06 50.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -144.47 126.17 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -162.73 171.95 16.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.754 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.6 tt -76.89 138.85 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.623 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.619 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.19 -62.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -146.22 157.14 43.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.864 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.9 t80 -135.55 108.33 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 151.25 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.016 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 39.9 p90 -108.8 110.71 22.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.18 -172.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.46 84.07 0.51 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.83 -177.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 111.581 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.697 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.1 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 60.67 31.55 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -92.3 49.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 60.88 63.64 2.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.67 -61.9 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.547 2.164 . . . . 0.0 112.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -114.82 128.27 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -177.11 149.73 0.82 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -51.63 168.69 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.253 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -130.41 156.3 79.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.9 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.0 119.65 22.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.46 161.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -176.35 90.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 165.41 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.19 160.46 66.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -71.91 165.27 33.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.49 93.56 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.45 175.79 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -159.57 95.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.54 111.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.74 119.84 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.69 99.16 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.21 -31.68 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 60.63 102.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.25 -34.16 7.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -135.72 -67.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.61 43.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.789 HD23 ' OE2' ' A' ' 60' ' ' GLU . 4.2 mm? -105.92 165.76 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' O ' HD22 ' A' ' 31' ' ' LEU . 33.9 t-80 -131.49 155.74 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 30' ' ' HIS . 4.2 mm? -131.56 171.02 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.84 -39.8 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -68.81 -49.19 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -65.52 151.49 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.98 145.68 31.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 -167.81 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.152 . . . . 0.0 112.209 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -167.93 148.06 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.58 172.06 13.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -92.35 139.53 24.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 176.73 9.63 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.541 2.161 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -116.28 158.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.62 175.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.49 -118.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.37 -171.75 44.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.784 HD11 ' OE1' ' A' ' 89' ' ' GLN . 30.3 mm -69.69 -11.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.586 0.232 . . . . 0.0 111.517 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -109.91 -29.92 8.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 146.61 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.9 52.38 0.28 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.3 Cg_endo -75.27 -39.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.5 2.133 . . . . 0.0 112.278 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER 54.6 60.87 3.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -56.52 -28.52 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.48 45.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.795 ' HB2' HD22 ' A' ' 51' ' ' LEU . 27.0 tt0 -94.7 17.21 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -58.49 -29.66 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.68 -53.83 0.79 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.579 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 40.4 m-85 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.815 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.21 -49.45 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.685 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.69 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.789 ' OE2' HD23 ' A' ' 29' ' ' LEU . 2.6 mt-10 -67.17 -48.71 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -58.03 -41.12 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 98' ' ' LEU . 6.5 tp -65.53 -53.25 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.55 -54.35 45.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.62 -37.22 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.32 -60.13 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.1 -53.69 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.4 t -51.39 -51.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -67.31 -29.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -64.25 -41.6 96.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -90.13 -20.18 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.714 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.7 m120 -84.88 -23.48 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.746 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.96 -35.87 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.726 0.298 . . . . 0.0 111.372 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -50.26 -45.34 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.63 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.567 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.59 173.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.35 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.59 87.76 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.851 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -107.18 -177.04 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -139.49 131.6 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.139 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -78.83 149.58 32.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -103.66 -36.66 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.017 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 81' ' ' VAL . 18.1 ptt180 175.09 165.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.1 m -88.58 142.77 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.9 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -118.31 -13.86 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.542 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.9 ' HG3' HG13 ' A' ' 84' ' ' VAL . 16.7 mttt -148.13 154.53 40.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.52 127.62 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.048 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 161.58 37.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.762 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -117.72 159.77 22.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.059 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -160.23 142.59 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -111.63 118.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.54 101.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 62.3 m 59.59 25.38 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.61 -113.16 0.57 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.194 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -145.92 114.67 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.567 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.12 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.0 125.46 44.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -107.69 95.89 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.521 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -117.21 141.63 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.95 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.84 138.51 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -139.32 158.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 21.1 mt-10 -89.46 133.72 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.851 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.24 150.88 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.485 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -128.04 148.87 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.65 109.24 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.35 29.55 11.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.35 -27.8 15.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.34 109.53 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HE3' HG21 ' A' ' 81' ' ' VAL . 8.2 tptm -102.54 142.57 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 11.2 mttp -165.59 175.73 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -117.67 121.26 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.673 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -120.67 142.26 49.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -93.51 139.85 30.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.063 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -129.37 132.32 47.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -121.56 116.73 25.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.808 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 125' ' ' GLN . 19.6 t -106.6 150.07 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.567 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 23.5 t90 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.15 122.46 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.47 173.83 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.84 -37.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.409 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -83.25 -20.73 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -24.78 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.11 44.86 7.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.81 138.67 50.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.97 127.19 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 115' ' ' VAL . 2.8 pm0 -162.71 173.85 13.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.8 tt -76.7 139.19 40.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -97.83 -58.11 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.269 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -146.93 157.19 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.343 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.2 t80 -139.8 106.79 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.307 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.6 p -99.04 150.21 22.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.3 p90 -107.04 110.51 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.08 -171.71 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.8 83.74 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.73 -177.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.977 0.417 . . . . 0.0 111.608 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.11 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 tpp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.0 -26.03 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 64.25 28.98 13.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -92.12 -39.62 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.739 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.443 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -74.74 -53.39 3.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.015 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 72.4 Cg_endo -77.94 -173.47 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.504 2.136 . . . . 0.0 112.363 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 45.22 39.34 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.382 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -132.85 157.41 78.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 -179.95 3.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -128.36 156.45 76.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.7 Cg_endo -74.96 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.62 -169.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.06 158.1 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.52 -174.51 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.58 -177.99 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.25 156.37 41.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 140.06 41.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.565 2.177 . . . . 0.0 112.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.65 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.81 131.74 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.57 134.06 49.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.04 161.48 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -98.07 -179.31 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.03 146.62 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.13 -46.44 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -144.31 158.1 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 60.35 80.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -106.33 -74.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.69 -131.59 5.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.1 mm? -88.6 -177.8 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -131.9 88.63 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -105.22 140.56 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.33 80.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -175.89 109.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -66.87 -178.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -113.26 90.41 16.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -51.54 -177.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.57 2.18 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.21 -168.89 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.44 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -112.62 91.3 16.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 177.76 4.41 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.499 2.133 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -85.26 158.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.419 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.64 -177.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.87 154.87 6.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.05 -173.18 48.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 6' ' ' PRO . 26.6 mm -75.37 63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -179.65 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 133.15 46.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -171.55 67.13 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.69 -30.06 44.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.49 2.127 . . . . 0.0 112.086 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 52.31 75.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.88 -35.75 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.52 48.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB3' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -93.84 17.17 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.5 -29.6 66.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.52 -39.47 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.19 -55.51 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.32 -53.26 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.5 pttt -59.32 -36.54 75.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.008 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.74 -60.34 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.288 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -56.52 -41.13 76.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 98' ' ' LEU . 7.3 tp -61.36 -53.83 51.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.35 -54.29 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.224 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.35 -38.78 88.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.46 -58.0 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.986 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.31 -54.4 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 63' ' ' ALA . 45.7 t -51.31 -51.5 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -66.76 -28.43 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.46 -43.55 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -88.16 -19.47 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.18 -25.91 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.718 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -35.03 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.8 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.438 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -176.4 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 111.351 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.78 169.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.367 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.71 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.31 89.42 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.731 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.42 -176.16 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -139.85 134.22 31.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.25 149.51 28.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.665 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 108' ' ' LYS . 7.8 m -104.09 -37.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.008 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.6 ptt180 175.28 165.54 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.854 HG12 ' CG1' ' A' ' 100' ' ' VAL . 10.5 m -87.86 145.75 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -121.71 -11.99 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.8 mttt -148.73 149.54 31.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.905 0.383 . . . . 0.0 111.183 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 51' ' ' LEU . . . -145.88 133.89 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mptp? -146.1 142.41 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.16 145.8 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 12.2 tt0 -145.63 149.64 34.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.633 HG13 ' HE2' ' A' ' 94' ' ' MET . 21.6 t -123.35 116.43 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -160.97 106.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t 60.03 26.26 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.06 -111.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.225 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.633 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.5 mmt -147.92 114.64 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.78 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.636 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 6.4 ttm -114.87 136.95 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.425 ' CG ' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -121.05 114.88 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -99.12 106.65 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -128.46 141.64 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 0.0 111.281 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.915 HG22 HD11 ' A' ' 110' ' ' LEU . 2.9 m -107.22 140.33 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.453 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.854 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -140.33 159.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.4 mt-10 -89.49 133.31 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.731 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.12 149.23 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 111.502 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -123.71 147.43 47.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.79 86.67 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.94 31.34 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.417 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.73 -39.28 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.545 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.89 109.49 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.739 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.49 133.48 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.7 mttp -157.01 173.89 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.6 tp -116.32 121.17 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.563 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -121.82 144.44 48.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.58 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -97.43 144.01 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.827 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -135.75 136.83 41.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpt -121.1 119.12 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -106.56 150.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.636 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.6 t90 -127.55 143.3 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.14 124.96 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.462 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -101.13 174.78 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.8 -37.85 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -83.39 -21.34 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -25.46 15.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.675 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.4 44.31 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.15 140.87 50.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 126.14 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.67 175.36 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.289 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.986 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.3 tt -80.62 139.91 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.408 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -95.41 -59.63 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -146.71 157.18 43.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.827 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.4 t80 -138.45 106.84 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.429 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.0 p -99.03 151.3 21.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.432 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -111.25 111.85 23.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.821 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.5 mt -87.24 -169.82 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.18 -67.34 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -177.01 161.19 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.72 -54.97 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 60.26 31.49 20.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -67.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -151.76 54.11 1.26 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' HG11 ' A' ' 91' ' ' VAL . 58.7 Cg_endo -71.71 -38.09 4.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.557 2.171 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -132.17 108.22 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.36 164.83 2.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.77 141.31 53.92 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.614 2.209 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -108.7 156.44 38.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.71 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.47 119.74 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.34 159.89 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.91 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -168.89 170.7 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.09 160.15 69.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 57.4 Cg_endo -71.26 178.24 5.71 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.557 2.172 . . . . 0.0 112.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.93 78.07 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.87 167.27 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.21 117.5 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.59 111.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.72 118.82 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 115.52 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.02 151.07 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -105.16 137.75 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 60.4 85.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.31 109.0 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.65 134.79 7.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 57' ' ' PHE . 23.2 mt 60.24 176.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CZ ' ' A' ' 57' ' ' PHE . 8.0 m170 -131.68 -176.57 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD21 ' OE1' ' A' ' 36' ' ' GLU . 14.7 mt -131.98 167.25 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -107.04 -47.18 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -169.61 -48.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -60.3 167.12 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.709 ' OE1' HD21 ' A' ' 31' ' ' LEU . 6.5 mm-40 -154.58 68.66 5.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 167.98 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.54 2.16 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.46 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.29 -169.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -104.16 149.17 36.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.18 -168.13 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.578 2.185 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.1 tp -120.06 154.45 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.475 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -55.14 146.32 18.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.82 -163.81 34.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.76 -163.24 9.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.828 HD11 ' OE1' ' A' ' 89' ' ' GLN . 23.6 mm -75.94 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.57 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.02 124.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -139.99 52.25 3.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 71.9 Cg_endo -77.33 -42.82 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.401 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.789 HD22 ' HG2' ' A' ' 54' ' ' GLU . 1.0 OUTLIER 56.52 73.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.86 -49.51 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -70.65 65.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.789 ' HG2' HD22 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -105.62 17.19 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -58.39 -30.59 66.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.824 0.345 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.99 -48.92 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.563 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -64.0 -40.61 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.789 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -69.83 -52.61 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 6.3 ptmt -58.58 -45.86 88.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -60.19 -47.67 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -63.47 -53.79 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.755 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.47 -53.64 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -38.94 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.04 -54.94 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.936 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.15 -55.65 32.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -52.9 -54.43 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -63.51 -29.41 70.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.32 -43.48 90.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -88.94 -15.0 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.5 m120 -86.79 -33.9 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.408 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.89 -36.17 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.348 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -43.18 54.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -176.97 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.739 0.304 . . . . 0.0 111.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.7 171.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.396 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.01 -169.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.99 40.19 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -53.84 175.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -142.36 133.21 25.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.18 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -84.59 149.45 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 101' ' ' GLU . 4.5 m -104.39 -35.61 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.055 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 176.29 164.25 0.41 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.794 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.9 m -86.96 143.1 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.871 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.0 p -117.15 -15.59 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.503 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.871 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.8 mttt -147.32 154.81 41.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.333 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.69 136.05 12.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.84 157.7 43.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.92 147.68 34.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.828 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -146.42 142.31 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -114.65 116.61 53.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.7 m -159.92 103.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t 59.75 27.22 16.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.11 -111.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.202 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.401 ' HE2' HG13 ' A' ' 90' ' ' VAL . 25.7 mmt -144.87 114.56 7.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.817 0.341 . . . . 0.0 110.785 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.558 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -115.07 127.37 55.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -111.09 131.69 54.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.3 m-85 -119.33 101.76 8.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -126.5 141.7 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.052 0.454 . . . . 0.0 111.269 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.868 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -106.03 142.76 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.589 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.794 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -140.27 158.53 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.26 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.3 mt-10 -89.28 124.3 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 78' ' ' LEU . 9.9 t -114.03 144.61 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.069 0.461 . . . . 0.0 111.704 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -121.19 150.79 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -150.07 105.63 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.88 29.8 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.44 16.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -70.12 109.48 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.506 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.4 tptm -94.26 140.96 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 15.1 mttt -159.98 -178.71 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 111.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 HG22 ' A' ' 99' ' ' THR . 9.8 tp -128.41 115.81 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 7.1 m-85 -117.49 140.01 50.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.552 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.3 tt0 -92.27 145.47 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.78 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.863 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . . . -134.86 134.32 40.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.175 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 1.1 ptpp? -123.33 116.07 22.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 62' ' ' LEU . 12.7 p -106.71 150.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.558 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 22.2 t90 -123.2 145.94 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.28 121.68 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.0 OUTLIER -101.88 176.29 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.868 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.36 -36.57 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -84.64 -20.57 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -23.19 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.727 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.49 50.98 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.56 143.64 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.713 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -153.77 119.07 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -162.75 174.15 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.177 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.936 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.3 tt -74.25 139.99 44.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.443 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -97.12 -59.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -146.75 156.96 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.061 0.458 . . . . 0.0 111.202 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.863 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 6.2 t80 -136.14 109.78 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.417 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.01 151.2 21.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.044 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 25.6 p90 -111.2 111.12 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.72 -169.33 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -104.63 83.68 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 p30 47.85 -178.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.68 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.834 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.97 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.87 79.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.12 -75.17 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 89.8 mm-40 -152.2 53.95 1.19 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 59.0 Cg_endo -71.89 -28.09 16.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.588 2.192 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.61 107.2 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.65 157.36 1.2 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.81 179.52 1.75 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.577 2.185 . . . . 0.0 112.273 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -132.42 156.14 80.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.5 Cg_endo -75.3 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.94 119.73 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.59 157.69 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.37 76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -157.57 177.39 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.11 169.13 14.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.767 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 69.7 Cg_endo -74.86 173.97 13.54 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 112.355 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.37 113.2 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.03 -169.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 60.55 88.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.87 34.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -106.07 150.33 25.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.54 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -95.36 154.85 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.03 124.34 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.35 110.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 60.31 82.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.94 78.55 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 29' ' ' LEU . 4.4 mm? -62.91 128.14 34.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -86.31 83.12 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.6 tt -131.04 128.77 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -134.77 89.82 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.51 35.83 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t0 61.21 112.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 60.81 -177.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 6.1 mm-40 -114.3 87.7 14.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -177.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.41 174.58 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.43 -174.71 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -107.84 87.5 3.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.81 140.83 43.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.545 2.164 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.6 tt -84.53 158.5 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -58.4 -177.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.95 -146.57 14.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.03 -156.18 7.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 46' ' ' ILE . 24.8 mm -97.55 36.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -166.19 108.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -164.53 -66.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 58.12 52.89 5.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.1 Cg_endo -76.92 -45.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 49.33 44.51 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -57.51 -30.65 65.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -95.98 69.24 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -105.58 17.1 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.7 -31.02 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.88 -45.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.89 -50.18 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.74 -36.24 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.774 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 83' ' ' VAL . 5.1 ttpt -62.14 -49.38 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 2.6 mt-10 -74.26 -38.66 63.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.36 -49.99 75.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 110.502 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 98' ' ' LEU . 5.7 tp -68.95 -53.61 19.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.11 -53.17 60.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.8 0.333 . . . . 0.0 111.218 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -41.05 97.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 36' ' ' GLU . 58.3 t80 -56.12 -56.03 25.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.53 -54.76 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.0 t -51.36 -54.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -65.11 -31.34 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -93.52 -16.24 24.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -88.27 -21.61 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.392 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -35.21 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 111.32 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.44 -85.43 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -148.61 14.58 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.2 t30 -83.84 -165.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.346 . . . . 0.0 110.983 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.71 -164.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.89 89.48 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -113.34 -176.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -140.12 129.39 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -78.44 149.75 33.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.623 179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 27.4 m -105.8 -38.59 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 15.5 ptm180 176.87 166.35 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.824 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.0 141.55 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.817 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.8 p -114.53 -18.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.817 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -145.6 155.78 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . . . -153.32 123.94 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 158.79 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -119.25 159.45 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.566 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -163.26 142.93 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -109.6 118.84 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 90' ' ' VAL . 5.3 m -159.57 100.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.2 m 60.35 24.41 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.23 -114.15 0.62 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.2 mmt -145.33 114.67 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -112.79 143.39 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -132.02 122.4 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.195 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -104.31 93.73 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.12 141.67 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.436 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.82 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.34 134.34 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.438 179.569 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.824 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -134.54 160.86 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.409 . . . . 0.0 111.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.28 134.32 34.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 78' ' ' LEU . 22.1 t -124.59 148.82 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.312 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -123.4 144.8 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.747 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.38 86.67 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.56 29.31 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.361 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.95 -38.23 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -67.81 109.51 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.34 130.22 46.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -156.14 169.13 25.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 135' ' ' ALA . 10.6 tp -112.56 121.72 45.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.48 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -119.2 143.46 47.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.625 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -94.48 139.55 31.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.82 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.99 131.43 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.7 ptpt -119.43 117.78 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.9 t -106.62 150.07 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.517 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -126.88 142.25 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 5.6 tm-20 -152.48 126.32 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.61 174.96 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.39 -37.22 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -84.43 -21.08 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.26 40.43 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.66 139.53 53.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.1 129.52 16.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.74 174.02 13.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.656 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -79.96 137.55 36.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.673 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -93.21 -61.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -146.56 157.15 43.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.477 . . . . 0.0 111.278 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.82 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.0 t80 -139.11 105.85 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.294 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.7 p -99.08 151.21 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.006 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.7 p90 -107.77 109.93 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.17 -171.65 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.71 -79.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -165.84 161.19 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.856 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.454 ' HB1' ' HG3' ' A' ' 4' ' ' GLU . . . -57.88 -26.69 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.59 30.72 0.54 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 63.6 mt-10 -77.83 -48.85 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -73.85 -57.13 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.944 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 67.7 Cg_endo -74.74 171.43 18.24 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.5 2.133 . . . . 0.0 112.335 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 77.27 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.02 166.75 1.35 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.95 163.44 37.54 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.503 2.135 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.14 156.52 78.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.6 Cg_endo -74.35 -168.24 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.16 119.81 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.16 150.1 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -176.8 103.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -176.54 179.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.12 163.6 48.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -70.08 176.83 6.48 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.583 2.189 . . . . 0.0 112.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.7 -42.19 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.97 79.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.93 -31.74 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.23 146.31 29.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.75 140.1 32.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.27 165.05 33.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.09 175.7 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.84 152.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -105.56 107.28 18.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.66 -175.43 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.39 -50.03 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 4.4 pp -139.54 149.88 44.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -175.28 151.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.66 -169.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -161.12 140.54 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -170.23 -66.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.67 78.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.09 76.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 59.77 87.7 0.13 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.12 -176.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -176.58 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.74 144.87 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -106.89 87.43 2.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -168.86 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.577 2.185 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.87 158.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.4 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -58.42 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.95 -149.65 21.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.2 176.58 20.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.0 mm -74.59 75.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.092 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -177.71 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.9 153.15 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.23 52.65 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 77.6 Cg_endo -77.58 -42.7 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.564 2.176 . . . . 0.0 112.504 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 57.03 104.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.909 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -85.57 -49.39 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -74.14 64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' CG ' HD22 ' A' ' 51' ' ' LEU . 48.4 mt-10 -102.02 17.07 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -59.3 -30.45 68.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.96 -46.65 1.08 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 76.6 m-85 -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.75 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.62 -51.74 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.78 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.8 ptmt -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.18 -60.28 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.256 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.21 -40.48 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.845 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -61.53 -53.78 51.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -57.06 -53.93 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -37.77 84.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -58.21 -58.95 6.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.932 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.58 -54.44 47.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.6 t -51.38 -50.9 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -30.71 71.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.802 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' OE1' HD22 ' A' ' 126' ' ' LEU . 13.6 tm-20 -62.85 -44.65 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -90.39 -15.57 30.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 75' ' ' ASN . 23.9 t-20 -88.25 -22.16 24.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.689 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -85.22 -34.44 22.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.424 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.81 -43.76 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.767 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -176.49 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 0.0 111.466 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 10.0 t-20 -44.59 166.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.375 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.9 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.556 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.0 97.28 5.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.705 HD13 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -116.39 -177.15 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.743 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -143.92 135.81 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.17 149.53 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.4 m -103.66 -36.62 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 8.0 ptt85 176.09 164.13 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.795 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.7 m -89.02 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.916 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -118.79 -13.68 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.63 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.916 ' HG3' HG13 ' A' ' 84' ' ' VAL . 15.1 mttt -148.43 156.58 42.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.567 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.97 126.96 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.29 156.99 46.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.65 143.57 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.059 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -154.74 154.79 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.799 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.5 t -105.89 124.66 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.26 96.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.704 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 15.3 m 61.42 26.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.54 -112.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.075 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.9 114.7 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.792 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.528 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.45 133.4 55.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.76 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 4.6 t60 -122.02 123.29 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.053 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -105.92 94.75 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.44 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.02 141.58 46.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.295 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.875 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.48 137.62 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.795 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.85 157.57 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.277 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.0 mt-10 -89.34 132.34 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.705 HG11 HD13 ' A' ' 78' ' ' LEU . 18.9 t -119.61 151.72 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -124.28 144.43 49.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.13 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.31 31.0 8.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.377 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.87 -39.22 1.95 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.18 109.51 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 9.9 tptm -105.03 137.19 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 32.5 mttt -161.07 175.59 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.875 HD11 HG22 ' A' ' 99' ' ' THR . 12.6 tp -116.13 121.51 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.703 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 4.8 m-85 -122.1 142.74 50.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.685 ' HA ' HG23 ' A' ' 99' ' ' THR . 1.1 tt0 -93.89 140.38 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.76 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -130.9 128.43 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.9 ptpt -116.38 116.1 27.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.67 150.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.528 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -125.0 143.15 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.88 124.7 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -100.2 174.65 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.1 p -115.53 -37.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.0 p90 -83.68 -21.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -25.04 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.742 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.41 42.55 8.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.1 140.22 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 127.54 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -162.76 172.77 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.251 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.932 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.58 135.1 37.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.77 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -146.11 157.17 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.129 0.49 . . . . 0.0 111.318 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.76 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.5 t80 -137.41 107.68 6.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.302 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.1 p -99.04 148.33 24.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.01 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 29.4 p90 -105.73 109.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.71 -170.94 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.71 83.46 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 47.14 -175.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.609 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.774 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.527 ' SD ' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.01 -55.57 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 179.37 155.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 1.1 mp0 -169.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 4' ' ' GLU . 1.3 mp0 -167.16 53.49 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 81.7 Cg_endo -77.73 135.42 14.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.557 2.171 . . . . 0.0 112.429 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 43.09 92.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.544 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -155.51 165.22 18.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 140.45 57.19 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.527 2.151 . . . . 0.0 112.196 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.0 m -100.87 155.51 36.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.15 -167.89 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.326 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.78 119.68 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.26 178.42 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -146.0 -53.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.52 -171.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -106.51 168.13 8.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo -72.78 142.02 34.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.573 2.182 . . . . 0.0 112.344 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 121.38 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.62 168.38 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -72.65 159.51 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.38 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -137.55 153.47 49.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.98 101.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.19 138.3 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -105.19 174.73 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 60.43 80.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -132.42 110.05 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.67 -66.42 1.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 3.8 mm? -92.38 142.19 27.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -106.16 154.38 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -166.47 -169.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.84 133.62 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -72.79 80.17 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.81 79.97 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.31 -178.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -119.53 78.93 21.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.3 166.28 0.77 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.583 2.189 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -175.97 -168.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -148.83 167.02 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -88.56 143.72 32.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HB3' ' ND1' ' A' ' 96' ' ' HIS . 73.7 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.568 2.179 . . . . 0.0 112.367 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -111.58 166.17 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.32 147.57 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.15 162.07 13.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.91 -142.86 13.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.527 HG22 ' SD ' ' A' ' 1' ' ' MET . 8.0 mm -98.22 33.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -135.06 -45.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.009 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.41 126.33 24.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -137.79 51.04 3.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -60.97 -73.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.491 2.127 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.674 HD13 ' CB ' ' A' ' 86' ' ' ALA . 1.6 tt 60.89 79.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.76 -31.36 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -78.89 61.85 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.551 ' HB3' HD23 ' A' ' 51' ' ' LEU . 21.2 pt-20 -99.08 17.14 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.253 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -58.73 -41.45 86.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.91 -45.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.745 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 94.8 m-85 -67.24 -40.18 86.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.65 -48.6 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.661 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -62.38 -40.32 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.84 -50.53 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.76 -45.38 86.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 98' ' ' LEU . 6.0 tp -61.65 -53.16 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.64 -54.33 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -36.92 83.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.12 -56.94 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.867 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.4 -54.22 48.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.8 t -51.32 -54.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.81 -29.81 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.98 -40.55 96.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -91.35 -20.22 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.061 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.8 m120 -84.58 -23.33 29.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.98 -36.09 23.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.289 . . . . 0.0 111.38 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -50.31 -45.67 54.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.528 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -176.52 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.544 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.64 174.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.246 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.17 -173.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.03 88.57 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.39 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.79 149.47 29.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.633 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.559 HG21 ' HE2' ' A' ' 108' ' ' LYS . 12.3 m -103.93 -36.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 6.5 ptt180 175.31 165.17 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.815 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.98 141.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.866 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.8 p -114.64 -16.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.866 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.2 mttt -147.72 155.42 41.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.674 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -156.15 121.26 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -134.2 161.46 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -119.91 158.72 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 4.4 tt0 -152.7 160.05 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.1 t -124.2 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.323 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.0 m -160.27 96.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 58.6 m 61.97 24.15 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.71 -116.33 0.72 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.224 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.12 114.77 6.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -109.0 148.85 30.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 41' ' ' PRO . 7.3 t60 -132.71 115.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.0 m-85 -99.65 94.11 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.824 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.86 141.63 47.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 -179.589 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.933 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.61 136.7 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.504 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.815 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.91 160.34 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 81' ' ' VAL . 15.7 mt-10 -89.33 129.74 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.897 HG11 HD22 ' A' ' 78' ' ' LEU . 21.3 t -117.96 149.06 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 0.0 111.514 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -124.57 146.74 48.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -132.46 86.65 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.4 30.9 8.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.83 -38.91 2.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -68.53 109.46 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.702 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -100.01 134.77 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.59 172.53 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.933 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -115.35 120.46 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.617 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.6 m-85 -119.83 143.7 47.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -95.45 142.02 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.891 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.08 132.01 39.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpp? -122.21 118.85 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 150.09 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.498 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.0 t90 -123.06 141.18 52.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -152.65 127.14 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -104.97 176.58 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.69 -36.2 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.412 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.8 p90 -85.51 -21.38 28.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.56 -24.21 15.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.5 49.86 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.6 137.86 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 125.12 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -162.7 172.55 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.867 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -76.98 139.92 40.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -96.19 -62.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -145.26 157.17 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.107 0.479 . . . . 0.0 111.432 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.891 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.7 t80 -137.97 107.66 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.16 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.4 p -98.94 151.25 21.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.3 p90 -109.27 108.58 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.468 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.0 mt -89.28 176.26 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.71 -79.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -168.0 154.86 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.82 -55.55 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 60.24 80.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -128.29 -47.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.7 mm-40 -157.52 54.11 0.76 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 57.0 Cg_endo -71.04 -45.5 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.548 2.166 . . . . 0.0 112.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -134.69 123.81 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.01 160.15 1.49 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 157.46 6.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.559 2.172 . . . . 0.0 112.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -130.22 156.48 79.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.53 -168.19 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.616 2.211 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.48 119.74 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 162.4 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -169.38 102.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.5 -179.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.648 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -140.62 163.99 39.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.648 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.6 Cg_endo -70.77 144.6 49.11 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.538 2.159 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.52 96.12 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.48 -176.09 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -151.0 117.27 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.36 -179.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.33 153.49 29.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.56 -64.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.01 124.33 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -150.03 133.59 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.618 ' HG3' HG12 ' A' ' 81' ' ' VAL . 4.5 mm-40 -67.75 87.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -101.93 -178.37 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.99 -45.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.1 mm? -105.82 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -134.65 85.19 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 31' ' ' LEU . 8.6 tt -164.88 134.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.59 -67.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 60.07 36.75 21.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.51 118.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.83 -177.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -114.52 87.4 14.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -176.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.37 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -134.61 -178.55 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.46 179.79 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.65 87.82 2.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.59 155.39 66.63 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.572 2.181 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.37 158.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.9 ptp -58.3 -176.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.18 -160.63 26.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.36 -133.86 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 46' ' ' ILE . 19.8 mm -98.39 30.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.26 -45.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.96 110.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -140.34 52.38 3.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 72.2 Cg_endo -76.72 -33.86 2.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.4 tt 55.83 52.04 11.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -58.37 -31.4 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -80.88 61.0 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -98.73 17.15 20.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -59.33 -30.77 68.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.01 -45.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.0 -37.9 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.64 -50.2 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.6 ptmt -59.93 -45.69 91.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 3.4 mm-40 -68.52 -39.92 80.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.72 -50.03 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.829 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -65.24 -53.85 38.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.91 -54.39 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.95 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -64.3 -58.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -57.31 -55.39 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.6 t -51.51 -58.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.967 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -32.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.79 -45.78 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -90.53 -9.55 46.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.6 ' OD1' HD12 ' A' ' 78' ' ' LEU . 2.0 m120 -91.8 -26.17 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.668 0.27 . . . . 0.0 111.36 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -76.75 -32.04 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -50.16 -82.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -159.78 24.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.79 -166.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 111.347 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.84 -27.02 60.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.383 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.96 82.54 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.001 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.021 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -109.68 -172.61 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -133.54 131.78 40.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.273 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.62 149.37 26.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.618 HG12 ' HG3' ' A' ' 26' ' ' GLU . 8.7 m -105.86 -37.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.5 ptt180 176.74 164.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.816 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.9 m -90.66 143.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.785 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.94 -19.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.306 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.785 ' HG3' HG13 ' A' ' 84' ' ' VAL . 20.1 mttt -145.49 153.25 40.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.787 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -157.28 136.61 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.414 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -146.0 160.0 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.642 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -128.5 139.2 52.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 2.7 pt20 -144.61 150.56 37.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.7 t -101.65 126.23 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.384 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 90' ' ' VAL . 2.4 m -162.82 97.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.651 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 7.8 m 61.28 25.55 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.46 -109.68 0.5 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.077 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.452 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.1 mmt -148.53 114.65 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.796 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 4.1 ttm -114.37 129.83 56.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.763 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -110.94 125.06 53.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -112.96 102.38 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.325 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.829 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -129.53 141.73 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -104.73 138.22 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.479 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.816 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -137.09 161.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 111.427 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.2 mt-10 -89.3 133.89 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.341 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.021 HG11 HD13 ' A' ' 78' ' ' LEU . 15.8 t -128.39 142.95 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.411 . . . . 0.0 111.618 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -119.61 150.84 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -150.19 107.26 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 55.6 29.95 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.55 -27.92 15.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 109.53 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.354 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.3 tptm -101.45 137.0 40.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 12.1 mttm -159.37 174.83 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -114.0 120.18 39.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.543 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.457 ' HE2' HD22 ' A' ' 78' ' ' LEU . 6.0 m-85 -120.8 141.63 50.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.124 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -93.8 144.58 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.79 135.87 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.288 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.445 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -124.15 121.03 34.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.99 150.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.8 t90 -123.91 143.11 50.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.87 124.64 7.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.472 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.3 mp0 -100.36 174.49 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.53 -38.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -82.56 -21.05 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -24.97 15.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.666 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.24 49.45 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.93 149.05 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.86 131.14 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.77 174.21 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.643 HD12 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -80.62 134.65 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.729 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.414 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -89.78 -63.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -146.5 157.22 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 111.336 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.686 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.6 t80 -137.1 106.55 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.25 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 15.0 p -99.01 151.26 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -111.4 110.26 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.413 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.0 mt -88.15 -169.46 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.96 -80.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -167.61 149.53 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.892 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HB3' HG21 ' A' ' 46' ' ' ILE . 29.9 tpp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 3' ' ' ASP . . . -75.02 -37.96 61.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 1.1 t70 84.82 -21.13 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.702 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.82 -40.17 55.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.64 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -87.27 -50.94 0.43 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.953 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 49.3 Cg_exo -55.79 136.07 72.63 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 61.21 94.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.97 163.72 4.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.24 179.72 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.548 2.165 . . . . 0.0 112.198 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.1 m -148.39 155.71 42.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.1 Cg_endo -76.08 -167.68 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.704 2.27 . . . . 0.0 112.284 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.65 119.51 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.03 156.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.93 99.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -176.87 169.4 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.17 162.08 56.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.4 Cg_endo -72.26 161.85 43.31 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.151 . . . . 0.0 112.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.84 78.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.13 173.14 6.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -136.35 151.36 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.45 -169.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.37 128.23 44.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.64 -71.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -60.39 111.09 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -106.24 89.74 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.47 -45.12 4.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -176.5 152.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 138.04 49.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -176.57 142.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.6 t-80 -77.87 85.74 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 HD21 ' OD1' ' A' ' 61' ' ' ASP . 6.8 tp -165.03 170.45 15.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 61.89 77.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -148.39 -47.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.72 -48.3 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -176.68 -173.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -103.97 91.11 3.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 47.0 Cg_endo -68.66 -167.65 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.49 2.127 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.33 -168.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.54 -174.61 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -111.56 98.02 38.99 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 174.44 8.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.452 2.101 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.0 tp -109.88 155.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.6 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -54.12 145.68 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.26 -146.18 4.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.36 -141.35 4.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 46' ' ' ILE . 20.3 mm -107.82 31.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.11 111.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.44 -166.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.94 64.21 33.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 37.2 Cg_exo -61.21 -19.85 65.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.721 2.281 . . . . 0.0 112.421 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -58.88 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.978 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -94.39 78.8 3.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -92.48 17.15 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.44 -30.85 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.82 -51.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 29' ' ' LEU . 24.1 m-85 -59.25 -44.95 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.16 -54.82 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 83' ' ' VAL . 1.6 ptmt -56.82 -45.74 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.75 -40.87 88.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' OD1' HD21 ' A' ' 31' ' ' LEU . 11.8 m-20 -58.11 -50.03 74.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 3.9 tp -64.93 -51.97 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.19 -54.37 44.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' NH2' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.58 -34.98 76.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.15 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.2 t -51.33 -54.14 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 12.9 ttm180 -65.23 -31.76 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.15 -43.02 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -92.39 -15.91 26.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.05 -18.9 26.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.468 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.99 -34.49 19.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 111.307 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -44.92 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.484 -179.481 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -148.31 14.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.278 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.82 -166.39 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.331 . . . . 0.0 110.955 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.03 -162.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.9 88.86 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -111.04 -178.01 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.6 128.74 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.19 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -75.52 149.52 38.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -105.13 -36.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.3 ptt85 175.85 164.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.833 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -92.0 144.57 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.478 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.923 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -120.23 -15.31 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.923 ' HG3' HG13 ' A' ' 84' ' ' VAL . 37.9 mttt -147.0 154.01 40.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 51' ' ' LEU . . . -153.42 129.0 10.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.1 159.64 41.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -139.83 136.24 33.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.237 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -136.64 160.02 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -105.39 122.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.42 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 90' ' ' VAL . 10.4 m -159.39 97.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.408 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 33.5 m 60.82 27.0 16.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.684 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.57 -111.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.123 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.7 mmt -146.99 114.67 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -111.82 146.66 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 98' ' ' LEU . 32.8 t-80 -135.56 119.93 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.183 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.2 m-85 -103.36 103.87 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.401 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.68 141.63 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.349 -179.415 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.754 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.46 129.99 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.833 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -134.9 160.82 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.8 mt-10 -89.31 131.72 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 78' ' ' LEU . 15.5 t -119.75 151.35 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 111.349 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.11 143.88 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.782 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -143.38 105.55 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.97 29.71 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.273 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.3 -27.3 17.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.573 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -67.94 109.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.583 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.1 tptm -96.71 133.09 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.5 mttp -156.41 173.0 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 135' ' ' ALA . 14.5 tp -114.83 118.93 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 8.8 m-85 -119.24 146.73 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 146.72 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.754 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -138.24 134.91 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.4 ptpt -117.49 118.3 31.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.929 0.395 . . . . 0.0 110.983 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.2 t -106.5 150.13 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.6 t90 -128.79 142.26 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.037 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -151.68 125.92 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.2 mp0 -100.37 174.65 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.7 p -114.76 -37.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -82.96 -21.17 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 tpp -97.52 -25.36 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.27 40.31 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.04 143.9 51.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 129.24 14.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -162.72 175.11 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.1 tt -85.85 139.26 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.408 ' HB2' ' HG3' ' A' ' 114' ' ' LYS . 5.5 mp0 -97.83 -55.69 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.257 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.78 154.97 42.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.29 0.567 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.812 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 -135.92 108.53 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.995 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.4 p -98.97 151.48 20.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.454 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.6 p90 -112.23 110.3 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.5 mt -87.76 -175.47 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.53 -68.47 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -176.71 161.82 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.786 0.244 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -139.29 104.19 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -173.99 164.65 2.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.29 179.85 2.69 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.578 2.186 . . . . 0.0 112.275 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.47 156.36 77.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.93 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.607 2.205 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.39 124.08 51.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.643 ' HB2' ' OE1' ' A' ' 125' ' ' GLN . . . -75.68 -179.27 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.07 -68.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -177.29 -174.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -107.81 163.86 16.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo . . . . . 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.718 0.294 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.71 168.99 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -174.93 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.27 175.53 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -105.72 87.47 2.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.51 164.91 32.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.549 2.166 . . . . 0.0 112.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.89 158.51 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 164.08 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.18 141.98 3.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.04 -167.58 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.98 62.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -177.57 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.31 111.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -176.12 69.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 -25.29 59.12 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.239 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 59.41 80.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.44 -36.81 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.36 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -93.91 17.36 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.39 -30.66 66.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.87 -42.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.654 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -63.61 -54.65 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.045 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.3 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.5 pttt -56.31 -40.58 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.95 -45.32 86.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.46 -46.62 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 115' ' ' VAL . 7.5 tp -64.93 -53.02 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.95 -54.36 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.03 -37.21 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.16 -54.83 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.78 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.05 -53.65 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.0 t -52.9 -54.98 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -64.04 -29.74 70.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.24 -43.15 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.18 -19.09 25.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.5 m120 -84.82 -25.62 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.92 -35.64 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.244 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.12 -43.16 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.441 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.75 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.84 169.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.347 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.53 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.74 89.37 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.3 132.95 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -82.68 149.48 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.7 m -103.8 -37.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.5 ptt180 174.8 165.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.843 HG12 ' CG1' ' A' ' 100' ' ' VAL . 7.5 m -88.29 144.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.271 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.855 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -120.34 -13.48 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.638 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.855 ' HG3' HG13 ' A' ' 84' ' ' VAL . 24.2 mttt -147.9 151.04 35.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.911 0.386 . . . . 0.0 111.116 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -146.61 129.71 16.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 151.99 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 7.2 mm-40 -112.02 151.4 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.28 145.71 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.76 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -113.96 120.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.0 m -161.29 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 42.3 m 59.11 28.19 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.92 -111.71 0.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.305 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.68 114.61 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.007 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.473 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.7 ttm -112.91 131.05 55.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -116.03 118.81 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 111.25 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -103.39 101.35 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -122.49 141.55 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.348 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.93 HG22 HD11 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.02 139.31 41.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.435 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.843 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -139.49 160.86 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 111.382 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 81' ' ' VAL . 13.7 mt-10 -89.41 133.51 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.394 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.802 HG11 HD22 ' A' ' 78' ' ' LEU . 20.6 t -124.0 148.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.94 0.4 . . . . 0.0 111.458 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -126.67 147.8 49.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.744 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -151.37 108.41 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.02 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.96 29.53 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.14 -27.51 16.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 109.53 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.9 tptm -104.28 136.43 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -160.35 175.62 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 99' ' ' THR . 10.5 tp -115.01 121.24 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -121.55 141.28 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.06 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.585 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.0 OUTLIER -93.41 145.45 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.1 131.09 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.6 ptpt -116.26 115.64 26.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 62' ' ' LEU . 21.9 t -106.59 150.15 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.473 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 27.6 t90 -125.85 141.51 51.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.14 126.42 9.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.467 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.5 mp0 -99.93 174.28 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.995 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -116.39 -38.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -82.54 -21.08 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 ttt -97.64 -25.33 15.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.706 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 52.08 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.17 150.42 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.8 132.65 12.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.643 ' OE1' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -162.76 175.28 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.707 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.5 tt -87.9 135.04 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 4.3 mp0 -93.68 -58.01 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -145.76 156.73 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 111.686 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.823 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.9 t80 -137.86 109.23 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.181 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.97 151.25 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.065 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.9 p90 -111.47 110.06 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.45 HD12 ' HG ' ' A' ' 110' ' ' LEU . 6.0 mt -87.43 -170.09 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.65 -78.87 0.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -167.03 149.57 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.805 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.786 0.244 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 107.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 154.7 1.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 168.49 21.42 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.565 2.176 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -133.33 156.55 79.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.27 -168.24 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.79 -169.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.12 -174.7 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.18 -177.42 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.44 -176.84 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -90.67 160.12 39.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.742 0.306 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.27 145.18 59.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.609 2.206 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 144.14 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.69 -169.3 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -138.41 87.52 15.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 167.39 25.17 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.555 2.17 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.38 158.47 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -179.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.8 166.7 24.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.16 -165.4 27.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CG ' ' A' ' 89' ' ' GLN . 16.1 mm -81.32 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -170.16 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.99 132.12 53.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.22 52.55 3.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.5 Cg_endo -59.15 -73.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.519 2.146 . . . . 0.0 112.343 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 54' ' ' GLU . 1.4 tt 58.69 56.29 4.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -59.42 -29.46 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -84.37 57.71 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.742 ' HB2' HD23 ' A' ' 51' ' ' LEU . 5.2 tm-20 -100.12 17.26 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.35 -29.58 66.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.89 -52.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.593 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -60.23 -43.16 96.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -69.72 -53.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.612 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.4 ptmt -58.15 -45.58 87.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.23 -46.57 83.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.52 -42.47 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.45 -53.75 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.78 -54.34 45.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -37.94 80.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -58.93 -61.93 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.879 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -55.76 -54.08 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.274 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -51.31 -51.93 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -28.67 68.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.03 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.768 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -88.79 -19.22 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.685 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.6 m120 -84.81 -25.91 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.85 -35.15 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -51.69 -43.49 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.84 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.747 0.308 . . . . 0.0 111.373 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 168.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.402 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.21 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.307 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.17 86.36 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -105.47 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -137.96 133.3 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.241 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.99 149.61 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.626 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' HE3' ' A' ' 108' ' ' LYS . 10.4 m -103.76 -37.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt85 174.38 165.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.846 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.6 m -89.63 142.06 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.238 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.879 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -116.86 -15.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.451 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.879 ' HG3' HG13 ' A' ' 84' ' ' VAL . 10.2 mttm -148.22 151.69 35.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -152.96 137.47 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.1 153.47 35.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.9 152.04 25.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.437 ' CG ' HD13 ' A' ' 46' ' ' ILE . 7.3 mt-30 -148.42 154.06 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.718 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.16 116.79 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.274 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.0 101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 48.5 m 60.85 25.77 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.93 -112.61 0.57 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.223 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -144.89 114.72 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -113.9 128.24 56.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.663 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.565 ' CD2' HD12 ' A' ' 98' ' ' LEU . 3.1 t60 -114.34 123.21 48.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.125 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 5.1 m-85 -110.0 108.96 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -131.73 141.69 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 0.0 111.199 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.959 HG22 HD11 ' A' ' 110' ' ' LEU . 2.3 m -107.7 135.32 49.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.846 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -136.55 159.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 111.325 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.1 mt-10 -89.35 135.99 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.529 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 78' ' ' LEU . 16.2 t -126.81 150.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -126.68 147.58 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.753 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -145.99 106.8 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.039 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.01 29.82 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.64 -27.8 15.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -70.38 109.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 81' ' ' VAL . 7.0 tptm -99.02 139.86 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 16.3 mttm -161.51 173.05 15.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.6 tp -114.61 120.67 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.2 m-85 -120.78 146.72 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.59 143.46 30.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -133.97 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.9 ptpt -123.73 117.41 24.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.72 150.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.5 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.4 t90 -127.21 144.38 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -154.54 124.65 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.468 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.9 mp0 -99.77 175.31 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.54 -37.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.411 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -83.57 -20.88 32.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.41 -24.97 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 110.704 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.49 42.1 9.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.21 139.38 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.21 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -162.79 175.31 11.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.879 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.95 137.58 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.514 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -93.29 -61.01 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -146.02 157.19 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 111.378 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.84 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.8 t80 -138.63 106.89 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.267 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.06 151.22 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -108.63 109.73 21.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.3 mt -87.52 -179.42 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.03 -72.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.51 160.23 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.964 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.811 0.255 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -129.11 100.33 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -176.16 165.46 1.75 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 179.84 2.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.616 2.211 . . . . 0.0 112.242 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.444 HG21 ' CZ3' ' A' ' 116' ' ' TRP . 4.4 m -133.39 156.04 80.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.89 -167.97 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.775 2.316 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.5 119.32 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.51 171.8 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -177.59 98.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.53 179.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.773 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.25 168.32 17.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.773 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.9 Cg_endo . . . . . 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.736 0.303 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 177.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.523 2.149 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.5 -174.53 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.72 169.54 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -105.46 87.9 2.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.35 166.0 28.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.535 2.157 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.93 158.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.16 173.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.82 144.57 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.24 -164.76 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.725 HD11 ' NE2' ' A' ' 89' ' ' GLN . 25.5 mm -77.68 69.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -177.5 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -74.47 109.49 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.571 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -175.45 63.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.98 -25.99 23.75 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.185 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.887 HD12 ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 59.67 63.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.69 -29.31 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -83.99 58.19 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.693 ' HG2' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -99.37 17.21 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.41 -30.8 67.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.08 -47.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.553 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -65.95 -40.45 91.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.03 -50.83 37.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.62 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.51 -42.23 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.85 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -57.28 -45.24 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -64.15 -52.94 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.52 -54.31 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -35.27 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.25 -58.49 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.13 -53.83 53.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.0 t -51.4 -51.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -28.04 67.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.63 -41.85 92.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.639 ' OH ' HD21 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -89.8 -19.18 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.639 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.86 -27.06 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.519 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.88 -36.04 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -51.44 -42.95 61.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.372 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.69 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.339 . . . . 0.0 111.227 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.26 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.272 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.75 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.72 44.21 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.042 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.995 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -58.89 -178.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.88 134.01 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.313 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -81.62 149.46 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.695 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.516 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -104.54 -37.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 26.8 ptt-85 176.24 164.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.763 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -89.28 142.35 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -118.49 -15.14 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.678 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.905 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.2 mttt -148.04 156.01 42.14 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.938 0.399 . . . . 0.0 111.255 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.887 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.2 130.53 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 155.39 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 2.7 mm-40 -116.94 157.37 25.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.725 ' NE2' HD11 ' A' ' 46' ' ' ILE . 2.4 tt0 -159.19 149.49 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.0 t -111.62 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.32 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.3 m -160.31 100.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.934 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.9 m 60.81 25.13 15.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.15 -112.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -145.46 114.71 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.71 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.8 ttm -111.29 145.59 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 115' ' ' VAL . 0.4 OUTLIER -138.06 118.45 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 3.8 m-85 -101.45 103.82 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.414 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.84 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.05 141.64 47.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 111.375 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.921 HG22 HD11 ' A' ' 110' ' ' LEU . 1.2 m -111.56 132.91 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.432 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.763 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -134.92 161.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 111.331 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 81' ' ' VAL . 10.5 mt-10 -89.34 133.67 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.464 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.995 HG11 HD22 ' A' ' 78' ' ' LEU . 13.2 t -123.88 151.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.473 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -126.67 143.82 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.754 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -143.56 104.02 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.18 29.68 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.36 -27.02 18.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.568 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -69.18 109.52 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.516 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.5 tptm -98.0 133.32 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 20.2 mtpt -156.55 171.0 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.08 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.7 tp -113.19 119.88 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.555 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.3 m-85 -120.08 145.16 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.433 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -99.15 146.01 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.861 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.86 130.24 35.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 5.2 ptpt -113.33 114.47 26.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.443 ' HB ' ' CD2' ' A' ' 96' ' ' HIS . 13.2 t -106.67 150.07 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.71 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.7 t90 -125.81 142.09 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.75 124.19 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.464 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.4 mp0 -99.21 174.3 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.03 -37.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.33 -20.37 34.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -24.47 15.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.17 48.92 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.89 148.45 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.81 128.5 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.79 173.23 14.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.8 tt -87.15 136.55 32.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.698 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -93.83 -55.09 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.249 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -145.32 157.01 44.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 0.0 111.705 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.861 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.8 t80 -136.42 109.54 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.4 p -98.98 151.29 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 111.059 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 23.6 p90 -111.23 110.28 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.419 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.4 mt -87.81 -169.97 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.0 -68.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -176.62 160.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 1.08 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.826 0.261 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.14 99.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -170.21 160.55 6.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 135.32 30.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.572 2.181 . . . . 0.0 112.291 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -108.87 156.49 38.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.2 Cg_endo -74.53 -168.21 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.609 2.206 . . . . 0.0 112.372 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.69 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 169.66 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.83 93.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -168.84 158.0 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.87 156.99 79.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.4 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.524 2.149 . . . . 0.0 112.299 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.562 0.22 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 52.2 Cg_endo -69.17 -167.63 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.435 2.09 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -164.02 -167.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -148.3 -178.5 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -132.43 90.95 32.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.61 166.84 24.54 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -66.77 158.96 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.93 118.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.71 -156.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.53 76.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -171.16 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.5 110.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 86' ' ' ALA . . . -136.64 50.49 3.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 82.4 Cg_endo -77.59 -30.89 3.64 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.113 . . . . 0.0 112.255 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 56.9 tp 56.73 96.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -85.1 -21.33 29.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 5.5 p-10 -94.65 43.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -93.76 17.05 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -65.19 -51.29 61.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.03 -54.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -67.52 -42.9 82.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 53' ' ' ASN . 1.2 m-20 -69.81 -48.09 60.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -59.89 -41.9 92.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.86 -44.26 77.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.4 -45.31 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 115' ' ' VAL . 7.9 tp -65.87 -53.15 43.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.805 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.99 -54.31 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -37.03 84.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.47 -56.42 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.51 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 63' ' ' ALA . 41.8 t -51.79 -55.04 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -64.4 -29.35 70.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.57 -42.36 95.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.62 -19.26 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.682 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.6 m120 -84.65 -25.67 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.605 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.95 -35.49 25.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 111.243 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -51.58 -43.47 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.435 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.36 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.91 170.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.347 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.82 87.13 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.815 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.5 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -138.55 134.87 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.84 149.5 27.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.9 m -103.38 -36.87 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 175.52 164.66 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.782 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.5 m -90.43 141.28 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.784 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -114.33 -19.53 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.346 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.784 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.0 mttt -145.4 153.64 41.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 51' ' ' LEU . . . -153.38 122.15 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 151.58 48.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 96' ' ' HIS . 11.6 mp0 -110.5 150.61 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 10.6 tt0 -155.06 153.56 31.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 t -118.74 121.47 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.281 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.563 HG21 ' SD ' ' A' ' 95' ' ' MET . 7.1 m -159.36 98.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.404 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 28.9 t 60.26 27.63 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.32 -113.11 0.58 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.4 mmt -143.99 114.72 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.75 146.59 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.749 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 3.8 t-160 -138.0 120.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -105.26 101.74 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.23 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -118.5 141.58 48.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.365 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.945 HG22 HD11 ' A' ' 110' ' ' LEU . 1.9 m -109.04 129.36 55.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.782 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -131.32 160.39 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 111.349 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.9 mt-10 -89.34 134.25 34.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.815 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -123.37 151.14 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 0.0 111.505 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -129.95 149.96 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -154.55 110.03 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.72 29.62 9.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.315 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.0 -27.73 16.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -70.3 109.51 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.8 tptm -106.28 141.13 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 33.4 mttt -163.58 175.86 10.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.074 HD22 ' HB2' ' A' ' 135' ' ' ALA . 18.1 tp -114.2 120.09 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.615 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.6 m-85 -121.56 146.65 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.1 OUTLIER -100.01 144.19 29.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.48 132.66 39.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.207 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 4.4 ptpt -115.68 115.25 26.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 62' ' ' LEU . 21.5 t -106.59 150.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.274 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -125.97 142.77 51.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -152.01 122.06 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.7 mp0 -98.29 174.09 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.52 -37.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.404 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.27 -20.75 33.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -25.01 15.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.36 45.93 6.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.09 139.23 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 126.03 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -162.71 173.4 13.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.5 tt -87.25 139.92 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -97.37 -54.34 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.224 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -145.52 155.98 43.42 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.296 0.57 . . . . 0.0 111.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.8 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.5 t80 -137.42 107.83 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 12.1 p -98.9 151.27 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p90 -109.69 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.5 mt -88.08 -169.6 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.99 -71.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -176.9 160.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 1.074 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.786 0.244 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 39.59 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -140.36 162.44 49.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -179.9 3.28 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -127.51 156.69 74.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.3 Cg_endo -74.35 -168.21 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.84 -169.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.17 171.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.87 -176.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.77 -174.42 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.52 155.12 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.578 2.185 . . . . 0.0 112.276 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 172.18 13.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.582 2.188 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.75 162.55 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 -171.95 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 2.7 m-70 -106.13 145.65 31.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.48 -170.38 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 tt -115.75 158.66 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.44 149.36 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.18 166.58 22.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.88 -155.41 31.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.714 HD13 ' HG2' ' A' ' 89' ' ' GLN . 16.5 mm -94.89 75.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -177.31 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.07 127.56 32.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -142.72 52.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 75.9 Cg_endo -77.49 -33.39 2.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.553 2.168 . . . . 0.0 112.409 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 86' ' ' ALA . 2.3 tt 56.88 76.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.84 -56.17 25.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.06 67.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -105.63 17.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -58.81 -30.87 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.61 -49.95 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -64.79 -37.49 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.01 -50.65 39.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.678 ' HE3' HG22 ' A' ' 83' ' ' VAL . 11.5 ptmt -60.24 -38.42 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.95 -56.01 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.55 -42.14 87.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -61.78 -53.58 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.87 -54.28 46.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.11 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -58.6 -59.09 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.52 -53.5 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.5 t -51.31 -50.98 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -28.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.7 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -41.63 96.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -90.34 -20.06 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.687 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.94 -23.8 28.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.41 -35.63 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.393 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.82 -45.67 59.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.85 -32.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.593 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.15 173.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.239 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.59 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.79 80.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -103.16 -176.88 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.713 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -138.98 140.58 38.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.33 149.44 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 28.2 m -104.18 -38.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 9.3 ptm180 178.13 165.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.817 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.773 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.53 143.83 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.802 HG13 ' HG3' ' A' ' 85' ' ' LYS . 7.7 p -117.85 -17.56 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.802 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.1 mttt -146.33 156.13 43.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.188 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.72 125.76 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 148.51 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -116.8 127.47 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.714 ' HG2' HD13 ' A' ' 46' ' ' ILE . 13.8 mt-30 -136.62 153.51 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -113.06 122.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -161.01 99.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.403 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.3 m 60.66 25.52 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.772 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.71 -112.37 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.186 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -145.26 114.67 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.8 ttm -117.94 129.79 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -118.23 120.04 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.242 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.441 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -99.07 94.43 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.65 141.59 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.419 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 110' ' ' LEU . 2.7 m -113.32 135.17 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.284 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.773 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -135.68 161.47 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.38 134.13 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 78' ' ' LEU . 13.9 t -123.6 154.6 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -130.92 146.36 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.773 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -145.62 106.82 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.04 29.72 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.267 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.56 -27.7 15.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -69.79 109.55 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -99.26 140.41 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 mttt -162.21 173.41 14.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.7 tp -114.15 119.77 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.8 m-85 -120.39 143.03 48.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.661 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.01 144.72 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.12 130.16 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.2 ptpt -119.43 117.76 29.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.67 150.11 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.5 t90 -125.49 143.32 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 22.6 tt0 -153.28 123.71 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.75 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.6 mp0 -100.26 174.45 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.38 -37.84 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.7 p90 -82.56 -21.17 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.61 -25.04 15.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.69 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.35 45.08 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -132.45 140.52 48.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.55 127.4 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -162.7 173.78 13.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.0 tt -77.99 139.9 39.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.74 -60.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -146.23 157.13 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.322 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.882 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.9 t80 -137.67 109.98 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.233 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.8 p -98.95 150.84 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.114 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.447 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 17.0 p90 -109.74 105.85 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.482 HD12 ' HG ' ' A' ' 110' ' ' LEU . 1.9 mt -88.54 175.08 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.73 -74.8 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -173.55 158.84 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.975 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.812 0.255 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tttp 61.32 86.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -176.8 158.29 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.21 -179.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.579 2.186 . . . . 0.0 112.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -141.56 156.34 66.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.6 Cg_endo -74.8 -168.1 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.47 119.57 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.92 156.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.96 83.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.75 148.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -110.48 158.58 35.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.5 Cg_endo . . . . . 0 C--N 1.344 0.291 0 C-N-CA 122.533 2.156 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 170.1 17.32 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.55 2.167 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -176.53 153.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -88.08 149.34 45.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -168.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.561 2.174 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -121.06 134.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 ptp 45.58 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.352 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.778 ' HA3' HG23 ' A' ' 90' ' ' VAL . . . -145.02 167.31 27.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.22 131.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' OE1' ' A' ' 89' ' ' GLN . 27.3 mm -96.01 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.91 31.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -123.29 -67.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 56.43 52.96 7.14 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -76.68 -44.95 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.394 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 86' ' ' ALA . 6.1 tt 52.01 73.02 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -59.67 -54.54 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.16 73.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' HB3' HD23 ' A' ' 51' ' ' LEU . 8.5 pt-20 -105.61 17.13 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -59.0 -30.71 68.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.4 -46.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -66.5 -35.06 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.77 -50.35 25.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -60.42 -41.27 93.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.26 -44.55 68.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.42 -45.66 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.506 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -67.46 -53.19 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.823 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -50.75 -54.27 24.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.83 -38.84 92.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.719 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.54 -53.57 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.712 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.27 -54.15 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.3 t -52.54 -52.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -66.46 -28.71 68.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.83 -42.51 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -89.28 -18.8 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.749 ' OD1' HD11 ' A' ' 78' ' ' LEU . 8.8 m120 -85.51 -26.59 26.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.563 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -81.31 -35.61 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.243 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -42.13 60.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.17 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.299 . . . . 0.0 111.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.06 169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.52 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 88.75 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.91 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.49 -176.41 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -138.83 133.17 31.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.46 149.51 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.5 m -104.1 -36.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt180 175.47 164.78 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.0 m -89.86 141.46 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.907 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -116.23 -14.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.487 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.907 ' HG3' HG13 ' A' ' 84' ' ' VAL . 19.0 mttt -147.68 155.88 42.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.48 127.42 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -135.14 158.72 43.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.92 150.39 43.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 46' ' ' ILE . 3.0 tp60 -156.47 149.67 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.778 HG23 ' HA3' ' A' ' 44' ' ' GLY . 20.2 t -110.69 122.62 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.8 m -160.23 97.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.4 m 60.5 27.24 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.27 -112.1 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.267 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.42 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.4 mmt -147.82 114.73 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.969 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.426 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 7.2 ttm -114.95 141.72 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.22 127.61 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.163 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -108.65 95.72 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.506 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.51 141.72 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.405 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.954 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -111.61 135.23 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.392 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.871 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.9 m -137.17 158.49 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.329 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.34 132.74 34.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 78' ' ' LEU . 21.8 t -119.3 151.74 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.987 0.422 . . . . 0.0 111.534 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.44 146.94 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.586 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -137.75 86.66 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.57 31.44 7.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.424 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.67 -39.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.36 109.42 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 8.8 tptm -107.88 140.35 41.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 13.9 mttp -165.24 176.09 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 99' ' ' THR . 11.7 tp -115.94 121.76 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.1 m-85 -121.78 142.67 49.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.534 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -93.13 141.15 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.89 130.05 39.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HZ1' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -118.25 118.02 30.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.71 150.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.6 t90 -126.58 141.84 51.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.45 126.02 9.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.752 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.89 175.12 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.75 -37.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -83.87 -21.2 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -25.2 15.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.21 41.89 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.07 140.98 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 130.32 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -162.68 173.92 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.274 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.712 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.5 tt -80.9 133.76 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.663 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -88.21 -63.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -146.55 157.21 43.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.149 0.499 . . . . 0.0 111.344 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.765 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 11.4 t80 -135.82 107.45 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.302 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.53 HG23 ' HZ1' ' A' ' 114' ' ' LYS . 17.8 p -98.94 150.02 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.025 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 34.5 p90 -106.41 111.1 23.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.89 -169.87 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -103.57 83.3 0.41 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 47.29 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.707 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.059 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.251 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG3' HG12 ' A' ' 91' ' ' VAL . 0.1 OUTLIER 60.94 79.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 149.43 0.85 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.94 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -148.78 156.57 41.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.9 Cg_endo -74.36 -168.16 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.6 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.12 150.57 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -176.85 102.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.63 167.99 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.55 154.16 81.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.555 2.17 . . . . 0.0 112.313 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.722 0.296 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.0 -176.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -174.38 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.85 -179.6 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -128.65 88.35 52.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' A' ' 96' ' ' HIS . 55.0 Cg_endo -69.78 160.59 49.14 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.567 2.178 . . . . 0.0 112.312 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.2 tp -92.9 154.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.574 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -55.35 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -177.71 20.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.72 -172.15 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.6 mm -81.62 78.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -177.55 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.74 146.42 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -163.11 52.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.4 Cg_endo -77.23 -32.21 3.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.739 HD22 ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER 57.28 89.34 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -79.59 -30.96 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -86.66 66.22 9.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.739 ' CG ' HD22 ' A' ' 51' ' ' LEU . 35.7 mt-10 -104.8 17.09 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -62.4 -31.28 71.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.67 -49.74 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -68.4 -37.18 80.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.61 -46.33 54.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.5 ptmt -63.53 -41.79 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.02 -49.21 59.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -57.21 -43.45 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.779 HD21 HD22 ' A' ' 98' ' ' LEU . 7.4 tp -65.71 -52.97 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.74 -54.38 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -36.35 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.74 -57.33 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.878 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.12 -54.1 48.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.7 t -51.36 -53.2 16.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -66.95 -29.21 69.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.1 p90 -91.4 -20.1 22.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.678 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.2 m120 -84.92 -23.01 29.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.701 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.98 -35.95 23.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.334 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -50.63 -46.03 58.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.49 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.87 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.507 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.02 173.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.897 0.38 . . . . 0.0 111.274 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.08 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.208 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.09 86.45 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.78 -177.49 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -138.61 133.09 32.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.8 149.52 29.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.534 HG21 ' HE2' ' A' ' 108' ' ' LYS . 11.2 m -104.18 -36.61 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.3 ptt85 176.63 163.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.839 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.2 m -91.34 141.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.345 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.2 p -115.84 -17.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.3 mttt -147.06 156.72 43.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -162.02 122.59 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -130.39 154.36 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -125.14 150.24 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -157.46 160.04 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 t -108.52 123.5 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.395 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' SD ' ' A' ' 95' ' ' MET . 12.5 m -158.94 95.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 14.1 m 61.25 26.73 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.12 -111.69 0.55 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.092 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.2 mmt -146.31 114.72 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 1.7 ttt -111.96 146.14 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.764 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 41' ' ' PRO . 8.8 t60 -138.0 117.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.4 m-85 -102.53 103.91 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.779 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.36 141.69 48.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.997 0.427 . . . . 0.0 111.526 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.958 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.68 129.79 55.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.321 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.839 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -133.13 161.15 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 111.397 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.1 mt-10 -89.31 130.67 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.423 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 78' ' ' LEU . 17.2 t -120.5 149.59 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -127.57 144.96 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.649 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.38 109.68 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.01 29.41 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.8 15.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -67.57 109.5 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.534 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.88 132.11 47.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -158.12 173.56 16.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.153 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.0 tp -114.87 121.39 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.599 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.0 m-85 -120.84 147.43 45.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.9 OUTLIER -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.31 131.45 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 6.9 ptpt -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.63 150.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.257 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.715 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.3 t90 -125.62 142.79 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 121.19 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.84 174.04 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.76 -38.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -82.55 -21.25 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -25.2 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 46.53 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -132.42 137.97 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.44 125.26 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.404 ' OE1' ' CE1' ' A' ' 123' ' ' PHE . 1.9 pt20 -162.71 174.95 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.878 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.4 tt -87.55 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -94.21 -59.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -141.62 157.17 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.23 0.538 . . . . 0.0 111.758 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.1 t80 -136.81 109.1 7.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.086 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -98.97 151.28 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.073 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 31.2 p90 -111.1 110.98 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.8 mt -87.33 -170.17 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.32 -68.01 1.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -176.08 161.23 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.602 ' O ' HG11 ' A' ' 91' ' ' VAL . 57.6 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.825 0.261 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -116.81 106.21 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -174.45 150.52 1.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.86 179.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -140.67 155.82 69.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.7 -167.99 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.59 119.7 12.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.56 161.5 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.66 177.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 72.99 86.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -56.53 167.68 0.94 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.196 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.179 . . . . 0.0 112.326 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 155.29 70.82 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.464 2.109 . . . . 0.0 112.302 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -174.28 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.42 178.6 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -112.99 88.51 12.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.3 170.68 15.46 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.545 2.163 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -114.94 158.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -176.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.97 138.3 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -163.89 0.12 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.85 HD12 ' NE2' ' A' ' 89' ' ' GLN . 16.9 mm -87.88 53.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -174.12 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.69 118.98 5.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -165.73 63.27 0.87 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.25 -27.52 38.6 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.462 2.108 . . . . 0.0 112.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 57.67 69.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.54 -31.98 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.2 52.58 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.19 17.17 13.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -58.49 -30.46 67.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.04 -44.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.58 -43.35 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -67.63 -52.32 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -57.7 -41.72 82.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.54 -43.87 79.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.78 -45.72 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -66.26 -53.59 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.803 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.09 -54.3 31.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.23 -38.48 89.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.677 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.82 -57.29 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.89 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.14 -53.94 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 63' ' ' ALA . 47.4 t -51.44 -51.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 16' ' ' ALA . 11.4 ttp180 -67.02 -28.22 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -42.61 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.08 -19.17 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.09 -26.08 27.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.24 -35.24 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.236 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -51.76 -43.28 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.415 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.63 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.376 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.41 169.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.05 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.97 90.47 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.69 HD11 ' OD1' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -107.56 -176.21 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.17 133.01 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -83.24 149.46 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.692 HG21 ' NZ ' ' A' ' 108' ' ' LYS . 30.3 m -104.69 -35.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.265 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.655 ' HG2' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER 174.45 163.72 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.859 HG12 ' CG1' ' A' ' 100' ' ' VAL . 8.5 m -88.33 141.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.914 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -116.38 -13.87 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.569 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.914 ' HG3' HG13 ' A' ' 84' ' ' VAL . 14.1 mttm -148.12 156.86 43.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.785 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.59 130.63 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -136.97 149.99 47.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -112.5 133.81 54.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.85 ' NE2' HD12 ' A' ' 46' ' ' ILE . 1.2 mt-30 -134.29 157.93 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -124.06 118.05 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 6' ' ' PRO . 4.2 m -159.94 102.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 49.2 m 58.91 23.62 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.84 -115.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.179 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.3 mmt -144.82 114.69 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.452 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.04 143.44 43.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.24 116.89 18.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.224 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.76 97.32 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.408 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.504 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.81 141.62 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.31 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.894 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.02 138.27 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.354 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.859 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.07 156.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.284 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.41 124.75 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 78' ' ' LEU . 20.3 t -113.91 152.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.592 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -125.32 145.34 50.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -131.01 86.65 2.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.84 29.51 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.02 -38.29 2.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.85 109.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.692 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 3.7 tptt -99.96 139.33 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -163.87 174.02 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 99' ' ' THR . 13.9 tp -116.97 121.55 41.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.667 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.4 m-85 -120.59 144.08 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.93 137.12 34.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -128.34 126.97 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.457 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 7.0 ptpt -115.22 116.14 27.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.864 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.7 p -106.59 150.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.466 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.8 t90 -126.15 141.71 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.08 129.08 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.466 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -105.35 176.71 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.1 -36.57 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.0 p90 -84.22 -21.97 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -24.73 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.723 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.61 41.74 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -128.05 138.13 52.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 127.45 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -162.71 171.82 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.89 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -78.51 136.56 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.748 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -91.67 -61.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.38 157.23 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.099 0.476 . . . . 0.0 111.418 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.796 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.3 t80 -137.93 105.82 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.262 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.2 p -99.06 150.88 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 36.7 p90 -106.09 111.23 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.51 -170.66 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.68 82.96 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 47.27 -175.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.966 0.413 . . . . 0.0 111.595 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.791 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.805 0.252 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tttp 60.65 84.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 149.2 0.87 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 177.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.454 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -148.87 156.59 40.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.8 Cg_endo -74.46 -168.17 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.188 . . . . 0.0 112.367 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.85 119.71 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.24 167.28 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -176.75 100.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -176.51 166.67 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -135.09 160.42 68.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.548 2.165 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.716 0.293 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 172.46 12.84 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.559 2.173 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.55 165.23 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.76 -175.24 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 2.8 m-70 -102.08 148.93 36.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.97 -174.92 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.585 2.19 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.16 158.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 129.0 39.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.8 -161.67 27.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.24 -176.12 14.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.599 HD11 ' OE1' ' A' ' 89' ' ' GLN . 25.1 mm -75.38 79.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.23 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.27 -177.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -172.88 64.99 0.34 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 25.6 Cg_exo -62.35 -65.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 54.93 53.92 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -58.14 -30.71 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -83.87 58.37 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.61 17.14 18.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -58.52 -30.97 67.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.37 -49.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.79 -40.69 88.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -69.05 -49.43 57.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HE3' HG22 ' A' ' 83' ' ' VAL . 8.7 ptmt -60.5 -40.99 93.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -65.77 -50.25 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.55 -43.47 89.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.801 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -61.66 -53.62 53.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.2 -54.35 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -35.71 77.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.61 -58.17 9.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.761 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.962 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.42 -54.62 44.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.4 t -52.11 -55.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -63.59 -29.25 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -64.94 -43.06 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -89.55 -15.51 32.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.519 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.6 m120 -86.48 -33.6 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.432 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.93 -35.94 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.303 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -43.64 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.448 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.87 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.23 171.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.12 -168.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.327 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.07 40.49 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -54.61 171.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -136.89 132.48 34.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.92 149.44 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.733 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG23 ' HG2' ' A' ' 82' ' ' ARG . 9.3 m -104.31 -37.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 176.85 164.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -88.54 142.35 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.939 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -118.17 -14.98 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.564 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.939 ' HG3' HG13 ' A' ' 84' ' ' VAL . 12.0 mttt -147.96 156.32 42.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.893 0.378 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.04 130.1 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.035 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 152.76 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -111.77 159.76 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -164.5 142.87 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.732 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -107.09 120.52 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 90' ' ' VAL . 6.8 m -159.32 97.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m 60.6 26.77 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.35 -113.03 0.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -144.57 114.71 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.599 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -112.41 145.0 40.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -138.02 116.66 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.198 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.7 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.244 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.801 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.96 141.65 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.487 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.978 HG22 HD11 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -109.7 134.42 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.776 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -135.56 161.61 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.396 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.6 mt-10 -89.24 131.14 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.235 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 78' ' ' LEU . 18.3 t -124.62 143.03 39.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 0.0 111.706 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -120.09 148.76 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.552 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -148.08 105.08 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.99 30.33 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.96 -27.47 17.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -68.88 109.57 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 81' ' ' VAL . 1.3 tptp -97.23 132.12 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.3 mttm -156.79 172.27 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.7 tp -115.27 120.92 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 6.9 m-85 -120.22 143.81 48.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -98.17 147.97 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.47 133.03 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 8.0 ptpt -115.1 116.77 28.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.49 150.14 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.176 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.599 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -127.47 141.78 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -150.79 121.87 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -97.66 173.48 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.26 -38.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 42.4 p90 -82.44 -21.18 35.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -25.16 14.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.762 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.0 139.78 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.07 126.43 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -162.79 173.35 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 111.206 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.962 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -86.18 139.95 30.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.757 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 13.5 mp0 -98.51 -54.78 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -145.59 155.86 43.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.332 0.587 . . . . 0.0 111.79 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.0 t80 -136.03 109.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.003 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.9 151.36 20.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.8 p90 -112.2 109.89 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.7 mt -87.58 -169.88 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.23 -70.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -176.36 158.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.98 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.464 -0.216 0 CA-C-O 120.827 0.261 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.42 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -177.24 151.84 0.94 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.2 179.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 112.304 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.97 156.45 79.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.67 -168.11 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.623 2.216 . . . . 0.0 112.289 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.2 119.72 29.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.42 142.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -177.0 79.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -169.37 161.89 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -109.7 164.18 15.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.1 Cg_endo . . . . . 0 C--N 1.345 0.352 0 C-N-CA 122.6 2.2 . . . . 0.0 112.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.661 0.267 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.25 -176.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.205 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 179.81 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -131.24 -176.58 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -131.08 87.93 46.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.36 173.85 10.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -81.35 158.54 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.94 160.18 9.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.18 -167.2 29.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 20.6 mm -82.49 78.81 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 1.9 m-85 -176.57 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.5 152.49 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -166.21 53.29 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -75.97 -35.71 2.36 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.579 2.186 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.567 HD13 ' OE2' ' A' ' 54' ' ' GLU . 3.3 tt 55.99 62.46 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.01 -32.89 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.03 58.19 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.567 ' OE2' HD13 ' A' ' 51' ' ' LEU . 5.5 tt0 -105.65 17.09 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -58.49 -30.73 67.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.74 -53.52 0.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -65.99 -40.68 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.75 -49.01 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 83' ' ' VAL . 5.8 ptmt -60.13 -44.2 95.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.22 -43.84 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.73 -45.41 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 98' ' ' LEU . 8.0 tp -66.25 -53.83 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.83 -53.57 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.31 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.34 -55.36 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.09 -54.8 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 63' ' ' ALA . 56.6 t -51.36 -51.13 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.98 67.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -64.57 -40.67 95.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.609 ' OH ' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -91.23 -20.01 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.454 ' OD1' HG12 ' A' ' 67' ' ' VAL . 9.7 m120 -84.72 -23.94 29.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.654 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.21 -36.28 24.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 111.407 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -50.16 -45.52 53.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.5 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.6 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.489 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.5 178.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.58 -175.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.51 44.83 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.8 pp -59.76 178.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.41 119.25 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -69.85 149.47 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 108' ' ' LYS . 11.1 m -103.6 -36.29 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.8 ptt85 174.86 165.81 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -88.41 140.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.37 -17.72 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.386 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.801 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.5 mttt -145.81 153.6 41.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.56 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.92 132.01 10.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 154.9 47.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -112.81 142.32 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -141.48 154.48 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.14 117.93 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.5 m -160.24 100.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 70.4 m 60.51 25.89 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.02 -113.09 0.58 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.161 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.8 mmt -145.95 114.63 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.16 124.38 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -108.28 126.25 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.278 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -112.76 97.43 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.297 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.9 pt? -123.74 141.59 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.42 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -106.72 139.49 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.486 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.766 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -137.0 160.82 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.515 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -89.31 140.61 29.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.013 HG21 ' CE2' ' A' ' 111' ' ' TYR . 14.8 m -113.96 151.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.469 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -135.17 135.94 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.673 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -137.26 86.72 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.59 30.24 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.367 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -39.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 109.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.752 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.7 tptm -105.96 133.49 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -153.49 -178.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.123 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -130.17 113.9 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 1.013 ' CE2' HG21 ' A' ' 102' ' ' VAL . 10.5 m-30 -117.4 141.31 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.607 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.94 142.21 27.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.04 133.24 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.4 ptpp? -123.78 115.87 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.75 150.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.251 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.3 t90 -122.65 142.84 50.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 27.1 tt0 -153.89 127.1 8.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.478 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.0 mp0 -100.15 175.33 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -114.97 -37.33 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.415 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.5 p90 -83.52 -21.42 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.995 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.3 tpp -97.28 -25.3 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.657 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.37 38.55 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 142.02 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -148.08 133.2 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.746 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -162.77 170.66 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -77.4 132.72 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.29 -62.33 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.979 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -147.06 156.63 43.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 111.327 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.6 t80 -137.41 109.14 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 6.6 p -98.98 151.4 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.834 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 26.6 p90 -111.32 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.46 -170.41 2.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.94 -70.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -176.96 166.87 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 1.123 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.465 -0.19 0 CA-C-O 120.792 0.247 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tttt 62.05 116.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -177.16 166.4 1.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.52 125.86 13.97 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.214 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -93.41 156.11 40.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.4 Cg_endo -75.24 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.27 119.69 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.28 159.66 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -177.27 87.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.59 176.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.92 163.28 52.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo . . . . . 0 C--N 1.345 0.347 0 C-N-CA 122.507 2.138 . . . . 0.0 112.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.739 0.304 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 40.7 Cg_exo -56.95 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -163.77 -167.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -157.71 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -132.43 91.12 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 169.65 17.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.166 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.11 158.8 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 173.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.4 -173.92 45.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 -163.83 11.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.749 HD11 ' OE1' ' A' ' 89' ' ' GLN . 19.8 mm -82.93 63.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.984 0.421 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -177.09 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.46 133.28 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.02 64.36 40.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 20.1 Cg_exo -65.46 -66.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.614 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 56.58 54.18 7.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.933 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -58.41 -30.76 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.61 58.01 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.53 17.24 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -58.44 -42.98 88.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.3 -47.8 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.559 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -66.13 -39.02 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.07 -50.09 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.3 ptmt -59.78 -41.65 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.98 -45.36 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.55 -48.02 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -64.18 -53.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.27 -54.42 36.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -36.18 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.72 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.55 -59.54 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.67 -53.88 53.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.3 t -51.35 -52.76 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.69 -30.96 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' HD22 ' A' ' 126' ' ' LEU . 14.4 tm-20 -62.64 -41.65 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -92.02 -17.25 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.733 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.0 m120 -88.07 -20.49 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.535 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.47 -35.0 21.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.71 0.291 . . . . 0.0 111.292 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.18 -85.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.375 -179.529 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.44 13.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.325 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.1 t30 -84.96 -165.55 1.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.11 -164.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 88.12 2.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.896 HD22 HG11 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -111.42 -177.52 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -140.98 127.63 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.75 149.45 39.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG21 ' HE3' ' A' ' 108' ' ' LYS . 9.5 m -104.17 -37.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.2 ptt180 174.65 166.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.831 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.97 142.03 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.222 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.861 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -117.04 -15.13 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.529 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.861 ' HG3' HG13 ' A' ' 84' ' ' VAL . 9.6 mttm -147.63 155.94 42.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.094 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.614 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.41 126.97 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 160.8 37.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG2' ' CE1' ' A' ' 96' ' ' HIS . 64.3 mt-10 -117.13 158.91 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.749 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -162.51 141.67 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -108.72 121.19 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.277 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.6 m -160.1 96.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.4 m 61.41 25.84 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.82 -114.17 0.61 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.223 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -145.9 114.67 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 3.2 ttm -113.42 139.23 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.436 ' CE1' ' HG2' ' A' ' 88' ' ' GLU . 12.7 t60 -126.2 121.42 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.112 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -101.9 94.0 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.92 141.7 47.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.419 -179.4 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.938 HG22 HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -111.26 137.26 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.408 179.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.831 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.74 160.42 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 0.0 111.355 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.4 mt-10 -89.43 135.47 33.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.896 HG11 HD22 ' A' ' 78' ' ' LEU . 17.0 t -124.3 150.41 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.425 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -128.03 146.23 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.78 106.19 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.34 29.98 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.94 -27.33 17.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -69.23 109.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 tptm -100.06 137.03 39.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.1 mtmt -159.9 171.92 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.938 HD11 HG22 ' A' ' 99' ' ' THR . 11.9 tp -114.48 120.92 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.6 m-85 -120.03 140.95 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.35 142.58 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.873 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.8 129.68 34.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.7 ptpt -119.18 117.98 30.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.59 150.14 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.9 t90 -125.51 142.65 51.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 1.4 tm-20 -152.45 125.74 8.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.29 175.09 5.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.64 -37.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -84.76 -21.0 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -24.93 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.07 139.18 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -145.56 128.6 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -162.71 172.71 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -77.61 138.87 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.17 -61.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -146.12 157.16 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 111.314 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.873 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.9 t80 -138.27 108.75 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.362 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.9 p -98.94 151.22 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 22.1 p90 -109.33 106.88 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.2 mt -88.32 175.52 7.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -58.76 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -161.13 154.67 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.766 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.841 0.267 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 60.92 112.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -172.27 154.27 3.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.04 127.73 15.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.258 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.3 m -100.25 156.13 35.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 72.5 Cg_endo -75.0 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.85 119.56 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 175.26 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.99 84.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -168.53 -176.96 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -152.95 162.02 27.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 122.545 2.164 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.734 0.302 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 179.4 3.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.207 . . . . 0.0 112.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.59 173.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.22 -171.96 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -104.9 149.15 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -172.85 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.52 2.147 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.76 158.52 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ptp -58.48 144.77 41.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.59 -175.75 44.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.17 -162.62 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.582 HG23 HE22 ' A' ' 89' ' ' GLN . 15.5 mm -87.42 68.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.7 OUTLIER -177.02 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.52 140.17 47.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -141.23 53.0 3.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.3 Cg_endo -59.39 -74.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.592 2.195 . . . . 0.0 112.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.919 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 58.49 71.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -60.14 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -85.26 64.6 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.64 17.18 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.38 -37.13 74.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -48.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -64.72 -39.0 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.88 -51.01 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.797 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.5 ptmt -59.84 -38.46 82.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.1 -52.04 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -58.31 -43.82 88.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 98' ' ' LEU . 6.9 tp -61.88 -53.33 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.99 -54.27 45.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -37.5 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.86 -58.8 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.754 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.02 -53.69 55.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 63' ' ' ALA . 53.5 t -51.36 -50.37 28.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -67.77 -28.83 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.37 -41.92 96.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.74 -20.15 23.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.5 m120 -84.89 -23.73 28.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.735 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.67 -35.79 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.708 0.289 . . . . 0.0 111.4 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.3 -45.21 54.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.77 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.548 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.72 173.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.201 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.02 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.85 88.4 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -176.47 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.738 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -139.02 133.87 32.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -81.83 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.716 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -104.04 -36.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HG2' HG23 ' A' ' 81' ' ' VAL . 11.7 ptt180 176.09 164.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -89.88 142.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.897 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -116.79 -14.85 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.515 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.897 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -147.74 155.89 42.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.919 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -160.54 121.78 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.19 151.93 51.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.19 133.55 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.582 HE22 HG23 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -130.99 155.59 46.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -121.61 117.59 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.61 102.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 17.6 m 60.15 26.36 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.788 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.43 -112.35 0.57 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.152 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.476 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.6 mmt -147.48 114.7 6.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 2.8 ttm -113.05 128.64 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -112.04 117.18 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.235 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.6 m-85 -103.11 98.63 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -118.46 141.66 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.45 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.843 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.22 135.13 52.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.402 179.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -137.42 158.96 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.267 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.0 mt-10 -89.35 130.93 35.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.441 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -119.5 150.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -126.06 146.14 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.667 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -151.6 111.46 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.79 29.36 7.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.365 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.24 -27.91 15.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.549 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 109.48 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.785 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 2.7 tptm -105.3 131.58 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 1.1 mtpp -157.68 178.2 10.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 99' ' ' THR . 11.3 tp -116.89 121.99 43.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.671 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' N ' HD12 ' A' ' 110' ' ' LEU . 6.1 m-85 -121.18 144.45 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.53 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.7 140.81 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.049 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.864 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.31 127.41 37.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -116.48 117.26 29.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.001 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.64 150.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.8 t90 -123.7 143.09 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -152.62 123.26 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -100.02 174.2 6.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.948 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.45 -38.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.4 p90 -83.0 -21.19 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.92 -25.23 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.76 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.48 44.35 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.72 138.06 50.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -144.47 126.17 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -162.73 171.95 16.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.754 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.6 tt -76.89 138.85 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.623 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.619 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.19 -62.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -146.22 157.14 43.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.864 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.9 t80 -135.55 108.33 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 151.25 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.016 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 39.9 p90 -108.8 110.71 22.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.18 -172.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.46 84.07 0.51 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.83 -177.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 111.581 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.697 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.843 0.268 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -114.82 128.27 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -177.11 149.73 0.82 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -51.63 168.69 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.253 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -130.41 156.3 79.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.9 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.0 119.65 22.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.46 161.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -176.35 90.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 165.41 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.19 160.46 66.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.7 Cg_endo . . . . . 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.64 0.257 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 -167.81 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.152 . . . . 0.0 112.209 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -167.93 148.06 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.58 172.06 13.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -92.35 139.53 24.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 176.73 9.63 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.541 2.161 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -116.28 158.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.62 175.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.49 -118.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.37 -171.75 44.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.784 HD11 ' OE1' ' A' ' 89' ' ' GLN . 30.3 mm -69.69 -11.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.586 0.232 . . . . 0.0 111.517 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -109.91 -29.92 8.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 146.61 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.9 52.38 0.28 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.3 Cg_endo -75.27 -39.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.5 2.133 . . . . 0.0 112.278 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER 54.6 60.87 3.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -56.52 -28.52 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.48 45.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.795 ' HB2' HD22 ' A' ' 51' ' ' LEU . 27.0 tt0 -94.7 17.21 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -58.49 -29.66 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.68 -53.83 0.79 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.579 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.21 -49.45 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.685 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.69 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 2.6 mt-10 -67.17 -48.71 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -58.03 -41.12 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 98' ' ' LEU . 6.5 tp -65.53 -53.25 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.55 -54.35 45.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.62 -37.22 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.32 -60.13 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.1 -53.69 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.4 t -51.39 -51.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -67.31 -29.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -64.25 -41.6 96.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -90.13 -20.18 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.714 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.7 m120 -84.88 -23.48 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.746 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.96 -35.87 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.726 0.298 . . . . 0.0 111.372 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -50.26 -45.34 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.63 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.567 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.59 173.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.35 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.59 87.76 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.851 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -107.18 -177.04 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -139.49 131.6 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.139 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -78.83 149.58 32.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -103.66 -36.66 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.017 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 81' ' ' VAL . 18.1 ptt180 175.09 165.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.1 m -88.58 142.77 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.9 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -118.31 -13.86 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.542 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.9 ' HG3' HG13 ' A' ' 84' ' ' VAL . 16.7 mttt -148.13 154.53 40.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.52 127.62 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.048 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 161.58 37.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.762 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -117.72 159.77 22.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.059 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -160.23 142.59 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -111.63 118.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.54 101.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 62.3 m 59.59 25.38 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.61 -113.16 0.57 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.194 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -145.92 114.67 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.567 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.12 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.0 125.46 44.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -107.69 95.89 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.521 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -117.21 141.63 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.95 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.84 138.51 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -139.32 158.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 21.1 mt-10 -89.46 133.72 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.851 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.24 150.88 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.485 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -128.04 148.87 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.65 109.24 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.35 29.55 11.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.35 -27.8 15.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.34 109.53 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HE3' HG21 ' A' ' 81' ' ' VAL . 8.2 tptm -102.54 142.57 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 11.2 mttp -165.59 175.73 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -117.67 121.26 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.673 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -120.67 142.26 49.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -93.51 139.85 30.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.063 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -129.37 132.32 47.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -121.56 116.73 25.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.808 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 125' ' ' GLN . 19.6 t -106.6 150.07 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.567 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 23.5 t90 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.15 122.46 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.47 173.83 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.84 -37.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.409 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -83.25 -20.73 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -24.78 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.11 44.86 7.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.81 138.67 50.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.97 127.19 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 115' ' ' VAL . 2.8 pm0 -162.71 173.85 13.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.8 tt -76.7 139.19 40.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -97.83 -58.11 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.269 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -146.93 157.19 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.343 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.2 t80 -139.8 106.79 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.307 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.6 p -99.04 150.21 22.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.3 p90 -107.04 110.51 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.08 -171.71 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.8 83.74 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.73 -177.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.977 0.417 . . . . 0.0 111.608 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.11 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HB3' HD11 ' A' ' 46' ' ' ILE . 72.4 Cg_endo . . . . . 0 N--CA 1.464 -0.224 0 CA-C-O 120.762 0.234 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 45.22 39.34 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.382 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -132.85 157.41 78.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 -179.95 3.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -128.36 156.45 76.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.7 Cg_endo -74.96 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.62 -169.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.06 158.1 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.52 -174.51 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.58 -177.99 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.25 156.37 41.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.344 0.34 0 C-N-CA 122.565 2.177 . . . . 0.0 112.234 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.718 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -51.54 -177.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.57 2.18 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.21 -168.89 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.44 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -112.62 91.3 16.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 177.76 4.41 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.499 2.133 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -85.26 158.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.419 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.64 -177.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.87 154.87 6.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.05 -173.18 48.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 6' ' ' PRO . 26.6 mm -75.37 63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -179.65 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 133.15 46.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -171.55 67.13 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.69 -30.06 44.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.49 2.127 . . . . 0.0 112.086 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 52.31 75.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.88 -35.75 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.52 48.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB3' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -93.84 17.17 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.5 -29.6 66.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.52 -39.47 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.19 -55.51 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.32 -53.26 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.5 pttt -59.32 -36.54 75.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.008 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.74 -60.34 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.288 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -56.52 -41.13 76.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 98' ' ' LEU . 7.3 tp -61.36 -53.83 51.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.35 -54.29 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.224 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.35 -38.78 88.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.46 -58.0 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.986 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.31 -54.4 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 63' ' ' ALA . 45.7 t -51.31 -51.5 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -66.76 -28.43 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.46 -43.55 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -88.16 -19.47 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.18 -25.91 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.718 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.37 -35.03 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.8 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.438 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.4 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 111.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.78 169.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.367 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.71 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.31 89.42 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.731 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.42 -176.16 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -139.85 134.22 31.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.25 149.51 28.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.665 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 108' ' ' LYS . 7.8 m -104.09 -37.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.008 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.6 ptt180 175.28 165.54 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.854 HG12 ' CG1' ' A' ' 100' ' ' VAL . 10.5 m -87.86 145.75 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -121.71 -11.99 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.8 mttt -148.73 149.54 31.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.905 0.383 . . . . 0.0 111.183 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 51' ' ' LEU . . . -145.88 133.89 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mptp? -146.1 142.41 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.16 145.8 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 12.2 tt0 -145.63 149.64 34.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.633 HG13 ' HE2' ' A' ' 94' ' ' MET . 21.6 t -123.35 116.43 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -160.97 106.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t 60.03 26.26 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.06 -111.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.225 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.633 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.5 mmt -147.92 114.64 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.78 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.636 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 6.4 ttm -114.87 136.95 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.425 ' CG ' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -121.05 114.88 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -99.12 106.65 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -128.46 141.64 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 0.0 111.281 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.915 HG22 HD11 ' A' ' 110' ' ' LEU . 2.9 m -107.22 140.33 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.453 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.854 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -140.33 159.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.4 mt-10 -89.49 133.31 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.731 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.12 149.23 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 111.502 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -123.71 147.43 47.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.79 86.67 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.94 31.34 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.417 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.73 -39.28 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.545 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.89 109.49 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.739 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.49 133.48 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.7 mttp -157.01 173.89 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.6 tp -116.32 121.17 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.563 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -121.82 144.44 48.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.58 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -97.43 144.01 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.827 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -135.75 136.83 41.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpt -121.1 119.12 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -106.56 150.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.636 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.6 t90 -127.55 143.3 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.14 124.96 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.462 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -101.13 174.78 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.8 -37.85 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -83.39 -21.34 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -25.46 15.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.675 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 44.31 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.15 140.87 50.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 126.14 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.67 175.36 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.289 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.986 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.3 tt -80.62 139.91 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.408 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -95.41 -59.63 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -146.71 157.18 43.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.827 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.4 t80 -138.45 106.84 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.429 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.0 p -99.03 151.3 21.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.432 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -111.25 111.85 23.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.821 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.5 mt -87.24 -169.82 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.18 -67.34 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -177.01 161.19 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' HG11 ' A' ' 91' ' ' VAL . 58.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.805 0.252 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -132.17 108.22 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.36 164.83 2.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.77 141.31 53.92 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.614 2.209 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -108.7 156.44 38.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.71 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.47 119.74 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.34 159.89 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.91 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -168.89 170.7 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.09 160.15 69.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 57.4 Cg_endo . . . . . 0 C--N 1.344 0.329 0 C-N-CA 122.557 2.172 . . . . 0.0 112.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.791 0.329 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 167.98 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.54 2.16 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.46 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.29 -169.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -104.16 149.17 36.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.18 -168.13 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.578 2.185 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.1 tp -120.06 154.45 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.475 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -55.14 146.32 18.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.82 -163.81 34.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.76 -163.24 9.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.828 HD11 ' OE1' ' A' ' 89' ' ' GLN . 23.6 mm -75.94 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.57 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.02 124.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -139.99 52.25 3.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 71.9 Cg_endo -77.33 -42.82 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.401 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.789 HD22 ' HG2' ' A' ' 54' ' ' GLU . 1.0 OUTLIER 56.52 73.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.86 -49.51 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -70.65 65.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.789 ' HG2' HD22 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -105.62 17.19 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.39 -30.59 66.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.824 0.345 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.99 -48.92 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.563 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -40.61 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.789 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -69.83 -52.61 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 6.3 ptmt -58.58 -45.86 88.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -60.19 -47.67 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -63.47 -53.79 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.755 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.47 -53.64 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -38.94 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.04 -54.94 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.936 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.15 -55.65 32.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -52.9 -54.43 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -63.51 -29.41 70.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.32 -43.48 90.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -88.94 -15.0 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.5 m120 -86.79 -33.9 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.408 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.89 -36.17 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.348 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -43.18 54.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.97 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.739 0.304 . . . . 0.0 111.278 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.7 171.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.396 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.01 -169.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.99 40.19 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -53.84 175.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -142.36 133.21 25.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.18 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -84.59 149.45 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 101' ' ' GLU . 4.5 m -104.39 -35.61 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.055 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 176.29 164.25 0.41 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.794 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.9 m -86.96 143.1 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.871 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.0 p -117.15 -15.59 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.503 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.871 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.8 mttt -147.32 154.81 41.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.333 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.574 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.69 136.05 12.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.84 157.7 43.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.92 147.68 34.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.828 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -146.42 142.31 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -114.65 116.61 53.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.7 m -159.92 103.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t 59.75 27.22 16.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.11 -111.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.202 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.401 ' HE2' HG13 ' A' ' 90' ' ' VAL . 25.7 mmt -144.87 114.56 7.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.817 0.341 . . . . 0.0 110.785 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.558 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -115.07 127.37 55.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -111.09 131.69 54.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.3 m-85 -119.33 101.76 8.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -126.5 141.7 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.052 0.454 . . . . 0.0 111.269 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.868 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -106.03 142.76 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.589 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.794 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -140.27 158.53 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.26 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.3 mt-10 -89.28 124.3 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 78' ' ' LEU . 9.9 t -114.03 144.61 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.069 0.461 . . . . 0.0 111.704 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -121.19 150.79 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -150.07 105.63 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.88 29.8 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.44 16.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -70.12 109.48 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.506 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.4 tptm -94.26 140.96 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 15.1 mttt -159.98 -178.71 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 111.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 HG22 ' A' ' 99' ' ' THR . 9.8 tp -128.41 115.81 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 7.1 m-85 -117.49 140.01 50.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.552 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.3 tt0 -92.27 145.47 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.78 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.863 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . . . -134.86 134.32 40.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.175 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 1.1 ptpp? -123.33 116.07 22.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 62' ' ' LEU . 12.7 p -106.71 150.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.558 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 22.2 t90 -123.2 145.94 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.28 121.68 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.0 OUTLIER -101.88 176.29 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.868 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.36 -36.57 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -84.64 -20.57 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -23.19 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.727 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.49 50.98 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.56 143.64 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.713 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -153.77 119.07 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -162.75 174.15 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.177 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.936 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.3 tt -74.25 139.99 44.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.443 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -97.12 -59.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -146.75 156.96 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.061 0.458 . . . . 0.0 111.202 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.863 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 6.2 t80 -136.14 109.78 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.417 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.01 151.2 21.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.044 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 25.6 p90 -111.2 111.12 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.72 -169.33 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -104.63 83.68 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 p30 47.85 -178.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.68 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.834 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.83 0.262 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.61 107.2 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.65 157.36 1.2 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.81 179.52 1.75 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.577 2.185 . . . . 0.0 112.273 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -132.42 156.14 80.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.5 Cg_endo -75.3 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.94 119.73 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.59 157.69 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.37 76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -157.57 177.39 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.11 169.13 14.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.767 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 69.7 Cg_endo . . . . . 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 6.1 mm-40 . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.684 0.278 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -177.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.41 174.58 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.43 -174.71 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -107.84 87.5 3.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.81 140.83 43.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.545 2.164 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.6 tt -84.53 158.5 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -58.4 -177.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.95 -146.57 14.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.03 -156.18 7.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 46' ' ' ILE . 24.8 mm -97.55 36.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -166.19 108.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -164.53 -66.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 58.12 52.89 5.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.1 Cg_endo -76.92 -45.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 49.33 44.51 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -57.51 -30.65 65.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -95.98 69.24 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -105.58 17.1 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.7 -31.02 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.88 -45.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.89 -50.18 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.74 -36.24 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.774 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 83' ' ' VAL . 5.1 ttpt -62.14 -49.38 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 2.6 mt-10 -74.26 -38.66 63.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.36 -49.99 75.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 110.502 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 98' ' ' LEU . 5.7 tp -68.95 -53.61 19.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.11 -53.17 60.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.8 0.333 . . . . 0.0 111.218 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -41.05 97.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 36' ' ' GLU . 58.3 t80 -56.12 -56.03 25.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.53 -54.76 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.0 t -51.36 -54.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -65.11 -31.34 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -93.52 -16.24 24.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -88.27 -21.61 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.392 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -83.69 -35.21 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 111.32 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.44 -85.43 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.61 14.58 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.2 t30 -83.84 -165.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.346 . . . . 0.0 110.983 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.71 -164.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.89 89.48 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -113.34 -176.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -140.12 129.39 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -78.44 149.75 33.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.623 179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 27.4 m -105.8 -38.59 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 15.5 ptm180 176.87 166.35 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.824 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.0 141.55 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.817 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.8 p -114.53 -18.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.817 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -145.6 155.78 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . . . -153.32 123.94 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 158.79 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -119.25 159.45 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.566 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -163.26 142.93 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -109.6 118.84 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 90' ' ' VAL . 5.3 m -159.57 100.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.2 m 60.35 24.41 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.23 -114.15 0.62 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.2 mmt -145.33 114.67 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -112.79 143.39 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -132.02 122.4 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.195 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -104.31 93.73 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.12 141.67 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.436 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.82 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.34 134.34 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.438 179.569 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.824 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -134.54 160.86 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.409 . . . . 0.0 111.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.28 134.32 34.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 78' ' ' LEU . 22.1 t -124.59 148.82 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.312 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -123.4 144.8 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.747 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.38 86.67 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.56 29.31 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.361 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.95 -38.23 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -67.81 109.51 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.34 130.22 46.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -156.14 169.13 25.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 135' ' ' ALA . 10.6 tp -112.56 121.72 45.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.48 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -119.2 143.46 47.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.625 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -94.48 139.55 31.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.82 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.99 131.43 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.7 ptpt -119.43 117.78 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.9 t -106.62 150.07 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.517 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -126.88 142.25 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 5.6 tm-20 -152.48 126.32 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.61 174.96 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.39 -37.22 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -84.43 -21.08 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.26 40.43 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.66 139.53 53.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.1 129.52 16.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.74 174.02 13.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.656 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -79.96 137.55 36.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.673 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.445 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -93.21 -61.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -146.56 157.15 43.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.477 . . . . 0.0 111.278 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.82 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.0 t80 -139.11 105.85 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.294 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.7 p -99.08 151.21 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.006 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.7 p90 -107.77 109.93 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.17 -171.65 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.71 -79.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -165.84 161.19 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.856 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.811 0.255 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 77.27 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.02 166.75 1.35 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.95 163.44 37.54 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.503 2.135 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.14 156.52 78.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.6 Cg_endo -74.35 -168.24 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.16 119.81 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.16 150.1 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -176.8 103.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -176.54 179.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.12 163.6 48.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.6 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.583 2.189 . . . . 0.0 112.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.671 0.272 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.12 -176.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -176.58 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.74 144.87 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -106.89 87.43 2.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -168.86 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.577 2.185 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.87 158.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -58.42 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.95 -149.65 21.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.2 176.58 20.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.0 mm -74.59 75.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.092 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -177.71 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.9 153.15 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.23 52.65 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 77.6 Cg_endo -77.58 -42.7 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.564 2.176 . . . . 0.0 112.504 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 57.03 104.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.909 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -85.57 -49.39 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -74.14 64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' CG ' HD22 ' A' ' 51' ' ' LEU . 48.4 mt-10 -102.02 17.07 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -59.3 -30.45 68.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.96 -46.65 1.08 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.75 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.62 -51.74 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.78 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.8 ptmt -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.18 -60.28 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.256 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.21 -40.48 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.845 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -61.53 -53.78 51.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -57.06 -53.93 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -37.77 84.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -58.21 -58.95 6.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.932 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.58 -54.44 47.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.6 t -51.38 -50.9 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -30.71 71.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.802 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' OE1' HD22 ' A' ' 126' ' ' LEU . 13.6 tm-20 -62.85 -44.65 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -90.39 -15.57 30.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 75' ' ' ASN . 23.9 t-20 -88.25 -22.16 24.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.689 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -85.22 -34.44 22.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.424 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.81 -43.76 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.767 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.49 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 0.0 111.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 10.0 t-20 -44.59 166.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.375 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.9 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.556 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.0 97.28 5.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.705 HD13 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -116.39 -177.15 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.743 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -143.92 135.81 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.17 149.53 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.4 m -103.66 -36.62 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 8.0 ptt85 176.09 164.13 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.795 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.7 m -89.02 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.916 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -118.79 -13.68 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.63 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.916 ' HG3' HG13 ' A' ' 84' ' ' VAL . 15.1 mttt -148.43 156.58 42.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.567 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.97 126.96 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.29 156.99 46.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.65 143.57 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.059 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -154.74 154.79 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.799 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.5 t -105.89 124.66 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.26 96.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.704 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 15.3 m 61.42 26.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.54 -112.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.075 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.9 114.7 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.792 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.528 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.45 133.4 55.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.76 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 4.6 t60 -122.02 123.29 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.053 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -105.92 94.75 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.44 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.02 141.58 46.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.295 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.875 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.48 137.62 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.795 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.85 157.57 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.277 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.0 mt-10 -89.34 132.34 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.705 HG11 HD13 ' A' ' 78' ' ' LEU . 18.9 t -119.61 151.72 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -124.28 144.43 49.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.13 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.31 31.0 8.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.377 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.87 -39.22 1.95 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.18 109.51 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 9.9 tptm -105.03 137.19 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 32.5 mttt -161.07 175.59 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.875 HD11 HG22 ' A' ' 99' ' ' THR . 12.6 tp -116.13 121.51 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.703 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 4.8 m-85 -122.1 142.74 50.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.685 ' HA ' HG23 ' A' ' 99' ' ' THR . 1.1 tt0 -93.89 140.38 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.76 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -130.9 128.43 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.9 ptpt -116.38 116.1 27.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.67 150.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.528 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -125.0 143.15 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.88 124.7 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -100.2 174.65 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.1 p -115.53 -37.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.0 p90 -83.68 -21.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -25.04 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.742 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.41 42.55 8.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.1 140.22 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 127.54 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -162.76 172.77 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.251 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.932 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.58 135.1 37.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.77 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -146.11 157.17 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.129 0.49 . . . . 0.0 111.318 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.76 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.5 t80 -137.41 107.68 6.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.302 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.1 p -99.04 148.33 24.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.01 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 29.4 p90 -105.73 109.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.71 -170.94 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.71 83.46 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 47.14 -175.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.609 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.774 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.701 0.209 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 43.09 92.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.544 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -155.51 165.22 18.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 140.45 57.19 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.527 2.151 . . . . 0.0 112.196 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.0 m -100.87 155.51 36.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.15 -167.89 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.326 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.78 119.68 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.26 178.42 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -146.0 -53.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.52 -171.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -106.51 168.13 8.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.573 2.182 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.7 0.286 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.3 166.28 0.77 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.583 2.189 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -175.97 -168.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -148.83 167.02 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -88.56 143.72 32.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HB3' ' ND1' ' A' ' 96' ' ' HIS . 73.7 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.568 2.179 . . . . 0.0 112.367 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -111.58 166.17 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.32 147.57 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.15 162.07 13.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.91 -142.86 13.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 mm -98.22 33.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -135.06 -45.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.009 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.41 126.33 24.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -137.79 51.04 3.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -60.97 -73.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.491 2.127 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.674 HD13 ' CB ' ' A' ' 86' ' ' ALA . 1.6 tt 60.89 79.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.76 -31.36 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -78.89 61.85 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.551 ' HB3' HD23 ' A' ' 51' ' ' LEU . 21.2 pt-20 -99.08 17.14 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.253 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -58.73 -41.45 86.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.91 -45.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -67.24 -40.18 86.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.65 -48.6 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.661 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -62.38 -40.32 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.84 -50.53 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.76 -45.38 86.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 98' ' ' LEU . 6.0 tp -61.65 -53.16 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.64 -54.33 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -36.92 83.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.12 -56.94 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.867 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.4 -54.22 48.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.8 t -51.32 -54.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.81 -29.81 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.98 -40.55 96.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -91.35 -20.22 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.061 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.8 m120 -84.58 -23.33 29.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -83.98 -36.09 23.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.289 . . . . 0.0 111.38 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -50.31 -45.67 54.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.528 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.52 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.544 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.64 174.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.246 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.17 -173.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.03 88.57 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.39 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.79 149.47 29.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.633 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.559 HG21 ' HE2' ' A' ' 108' ' ' LYS . 12.3 m -103.93 -36.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 6.5 ptt180 175.31 165.17 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.815 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.98 141.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.866 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.8 p -114.64 -16.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.866 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.2 mttt -147.72 155.42 41.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.674 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -156.15 121.26 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -134.2 161.46 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -119.91 158.72 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 4.4 tt0 -152.7 160.05 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.1 t -124.2 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.323 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.0 m -160.27 96.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 58.6 m 61.97 24.15 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.71 -116.33 0.72 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.224 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.12 114.77 6.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -109.0 148.85 30.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 41' ' ' PRO . 7.3 t60 -132.71 115.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.0 m-85 -99.65 94.11 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.824 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.86 141.63 47.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 -179.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.933 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.61 136.7 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.504 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.815 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.91 160.34 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 81' ' ' VAL . 15.7 mt-10 -89.33 129.74 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.897 HG11 HD22 ' A' ' 78' ' ' LEU . 21.3 t -117.96 149.06 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 0.0 111.514 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -124.57 146.74 48.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -132.46 86.65 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.4 30.9 8.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.83 -38.91 2.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -68.53 109.46 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.702 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -100.01 134.77 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.59 172.53 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.933 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -115.35 120.46 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.617 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.6 m-85 -119.83 143.7 47.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -95.45 142.02 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.891 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.08 132.01 39.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpp? -122.21 118.85 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 150.09 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.498 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.0 t90 -123.06 141.18 52.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -152.65 127.14 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -104.97 176.58 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.69 -36.2 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.412 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.8 p90 -85.51 -21.38 28.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.56 -24.21 15.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.5 49.86 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.6 137.86 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 125.12 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -162.7 172.55 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.867 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -76.98 139.92 40.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -96.19 -62.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -145.26 157.17 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.107 0.479 . . . . 0.0 111.432 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.891 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.7 t80 -137.97 107.66 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.16 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.4 p -98.94 151.25 21.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.3 p90 -109.27 108.58 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.468 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.0 mt -89.28 176.26 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.71 -79.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -168.0 154.86 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.779 0.241 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -134.69 123.81 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.01 160.15 1.49 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 157.46 6.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.559 2.172 . . . . 0.0 112.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -130.22 156.48 79.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.53 -168.19 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.616 2.211 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.48 119.74 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 162.4 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -169.38 102.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.5 -179.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.648 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -140.62 163.99 39.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.648 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.6 Cg_endo . . . . . 0 C--N 1.344 0.332 0 C-N-CA 122.538 2.159 . . . . 0.0 112.335 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.716 0.293 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -176.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.37 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -134.61 -178.55 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.46 179.79 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.65 87.82 2.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.59 155.39 66.63 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.572 2.181 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.37 158.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.9 ptp -58.3 -176.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.18 -160.63 26.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.36 -133.86 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 46' ' ' ILE . 19.8 mm -98.39 30.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.26 -45.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.96 110.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -140.34 52.38 3.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 72.2 Cg_endo -76.72 -33.86 2.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.4 tt 55.83 52.04 11.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -58.37 -31.4 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -80.88 61.0 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -98.73 17.15 20.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -59.33 -30.77 68.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.01 -45.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.0 -37.9 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.64 -50.2 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.6 ptmt -59.93 -45.69 91.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 3.4 mm-40 -68.52 -39.92 80.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.72 -50.03 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.829 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -65.24 -53.85 38.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.91 -54.39 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.95 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -64.3 -58.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -57.31 -55.39 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.6 t -51.51 -58.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.967 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -32.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.79 -45.78 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -90.53 -9.55 46.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.6 ' OD1' HD12 ' A' ' 78' ' ' LEU . 2.0 m120 -91.8 -26.17 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.668 0.27 . . . . 0.0 111.36 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -76.75 -32.04 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -50.16 -82.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.78 24.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.79 -166.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 111.347 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.84 -27.02 60.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.383 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.96 82.54 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.001 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.021 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -109.68 -172.61 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -133.54 131.78 40.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.273 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.62 149.37 26.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.458 HG21 ' HE3' ' A' ' 108' ' ' LYS . 8.7 m -105.86 -37.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.5 ptt180 176.74 164.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.816 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.9 m -90.66 143.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.785 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.94 -19.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.306 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.785 ' HG3' HG13 ' A' ' 84' ' ' VAL . 20.1 mttt -145.49 153.25 40.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.787 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -157.28 136.61 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.414 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -146.0 160.0 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.642 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -128.5 139.2 52.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 2.7 pt20 -144.61 150.56 37.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.7 t -101.65 126.23 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.384 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 90' ' ' VAL . 2.4 m -162.82 97.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.651 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 7.8 m 61.28 25.55 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.46 -109.68 0.5 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.077 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.452 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.1 mmt -148.53 114.65 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.796 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 4.1 ttm -114.37 129.83 56.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.763 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -110.94 125.06 53.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -112.96 102.38 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.325 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.829 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -129.53 141.73 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -104.73 138.22 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.479 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.816 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -137.09 161.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 111.427 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.2 mt-10 -89.3 133.89 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.341 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.021 HG11 HD13 ' A' ' 78' ' ' LEU . 15.8 t -128.39 142.95 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.411 . . . . 0.0 111.618 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -119.61 150.84 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -150.19 107.26 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 55.6 29.95 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.55 -27.92 15.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 109.53 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.354 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.3 tptm -101.45 137.0 40.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 12.1 mttm -159.37 174.83 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -114.0 120.18 39.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.543 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.457 ' HE2' HD22 ' A' ' 78' ' ' LEU . 6.0 m-85 -120.8 141.63 50.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.124 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -93.8 144.58 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.79 135.87 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.288 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.445 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -124.15 121.03 34.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.99 150.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.8 t90 -123.91 143.11 50.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.87 124.64 7.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.472 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.3 mp0 -100.36 174.49 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.53 -38.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -82.56 -21.05 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -24.97 15.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.666 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.24 49.45 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.93 149.05 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.86 131.14 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.77 174.21 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.643 HD12 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -80.62 134.65 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.729 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.414 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -89.78 -63.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -146.5 157.22 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 111.336 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.686 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.6 t80 -137.1 106.55 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.25 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 15.0 p -99.01 151.26 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -111.4 110.26 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.413 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.0 mt -88.15 -169.46 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.96 -80.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -167.61 149.53 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.892 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.784 0.243 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 61.21 94.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.97 163.72 4.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.24 179.72 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.548 2.165 . . . . 0.0 112.198 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.1 m -148.39 155.71 42.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.1 Cg_endo -76.08 -167.68 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.704 2.27 . . . . 0.0 112.284 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.65 119.51 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.03 156.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.93 99.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -176.87 169.4 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.17 162.08 56.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.4 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.151 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.693 0.283 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 47.0 Cg_endo -68.66 -167.65 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.49 2.127 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.33 -168.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.54 -174.61 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -111.56 98.02 38.99 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 174.44 8.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.452 2.101 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.0 tp -109.88 155.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.6 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -54.12 145.68 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.26 -146.18 4.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.36 -141.35 4.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 46' ' ' ILE . 20.3 mm -107.82 31.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.11 111.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.44 -166.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.94 64.21 33.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 37.2 Cg_exo -61.21 -19.85 65.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.721 2.281 . . . . 0.0 112.421 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -58.88 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.978 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -94.39 78.8 3.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -92.48 17.15 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.44 -30.85 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.82 -51.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -59.25 -44.95 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.16 -54.82 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 83' ' ' VAL . 1.6 ptmt -56.82 -45.74 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.75 -40.87 88.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.11 -50.03 74.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 3.9 tp -64.93 -51.97 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.19 -54.37 44.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' NH2' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.58 -34.98 76.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.15 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.2 t -51.33 -54.14 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 12.9 ttm180 -65.23 -31.76 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.15 -43.02 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -92.39 -15.91 26.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.05 -18.9 26.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.468 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -86.99 -34.49 19.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 111.307 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -44.92 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.484 -179.481 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.31 14.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.82 -166.39 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.331 . . . . 0.0 110.955 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.03 -162.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.9 88.86 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -111.04 -178.01 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.6 128.74 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.19 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -75.52 149.52 38.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -105.13 -36.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.3 ptt85 175.85 164.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.833 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -92.0 144.57 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.478 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.923 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -120.23 -15.31 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.923 ' HG3' HG13 ' A' ' 84' ' ' VAL . 37.9 mttt -147.0 154.01 40.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 51' ' ' LEU . . . -153.42 129.0 10.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.1 159.64 41.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -139.83 136.24 33.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.237 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -136.64 160.02 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -105.39 122.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.42 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 90' ' ' VAL . 10.4 m -159.39 97.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.408 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 33.5 m 60.82 27.0 16.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.684 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.57 -111.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.123 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.7 mmt -146.99 114.67 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -111.82 146.66 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -135.56 119.93 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.183 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.2 m-85 -103.36 103.87 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.401 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.68 141.63 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.349 -179.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.754 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.46 129.99 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.833 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -134.9 160.82 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.8 mt-10 -89.31 131.72 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 78' ' ' LEU . 15.5 t -119.75 151.35 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 111.349 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.11 143.88 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.782 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -143.38 105.55 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.97 29.71 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.273 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.3 -27.3 17.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.573 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -67.94 109.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.583 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.1 tptm -96.71 133.09 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.5 mttp -156.41 173.0 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 135' ' ' ALA . 14.5 tp -114.83 118.93 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 8.8 m-85 -119.24 146.73 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 146.72 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.754 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -138.24 134.91 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.4 ptpt -117.49 118.3 31.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.929 0.395 . . . . 0.0 110.983 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.2 t -106.5 150.13 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.564 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.6 t90 -128.79 142.26 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.037 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -151.68 125.92 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.2 mp0 -100.37 174.65 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.7 p -114.76 -37.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -82.96 -21.17 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 tpp -97.52 -25.36 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.27 40.31 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.04 143.9 51.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 129.24 14.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -162.72 175.11 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.1 tt -85.85 139.26 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.408 ' HB2' ' HG3' ' A' ' 114' ' ' LYS . 5.5 mp0 -97.83 -55.69 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.257 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.78 154.97 42.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.29 0.567 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.812 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 -135.92 108.53 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.995 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.4 p -98.97 151.48 20.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.454 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.6 p90 -112.23 110.3 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.5 mt -87.76 -175.47 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.53 -68.47 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -176.71 161.82 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.786 0.327 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.1 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.34 80.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.7 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -139.4 54.3 5.79 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.65 -28.48 20.93 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.546 2.164 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -139.29 104.19 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -173.99 164.65 2.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.29 179.85 2.69 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.578 2.186 . . . . 0.0 112.275 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.47 156.36 77.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.93 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.607 2.205 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.39 124.08 51.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.643 ' HB2' ' OE1' ' A' ' 125' ' ' GLN . . . -75.68 -179.27 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.07 -68.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -177.29 -174.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -107.81 163.86 16.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo -72.78 -178.23 3.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.79 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.45 -176.57 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 60.33 93.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.07 161.49 29.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -102.95 -177.21 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.6 -75.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.15 -178.44 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -164.31 146.87 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.77 176.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -131.98 102.97 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.83 -72.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 57' ' ' PHE . 8.4 mt -140.88 159.97 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -100.62 135.76 41.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.18 -178.31 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -131.86 127.6 36.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.61 31.52 20.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t0 60.32 -170.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 60.66 177.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -137.59 88.03 16.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -51.71 168.99 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.579 2.186 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -174.93 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.27 175.53 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -105.72 87.47 2.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.51 164.91 32.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.549 2.166 . . . . 0.0 112.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.89 158.51 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 164.08 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.18 141.98 3.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.04 -167.58 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.98 62.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.985 0.421 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -177.57 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.31 111.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -176.12 69.23 0.25 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 -25.29 59.12 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.548 2.166 . . . . 0.0 112.239 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 59.41 80.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.44 -36.81 76.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.36 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -93.91 17.36 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -58.39 -30.66 66.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.87 -42.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.654 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' N ' HD13 ' A' ' 29' ' ' LEU . 74.9 t80 -63.61 -54.65 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.045 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.3 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.5 pttt -56.31 -40.58 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.95 -45.32 86.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.46 -46.62 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 115' ' ' VAL . 7.5 tp -64.93 -53.02 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.95 -54.36 36.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.03 -37.21 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.16 -54.83 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.78 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.707 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.05 -53.65 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.0 t -52.9 -54.98 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -64.04 -29.74 70.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.24 -43.15 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.18 -19.09 25.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.5 m120 -84.82 -25.62 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.92 -35.64 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.244 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -51.12 -43.16 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.441 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.75 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 0.0 111.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.84 169.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.347 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.53 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.74 89.37 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.3 132.95 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -82.68 149.48 27.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.694 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.7 m -103.8 -37.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.5 ptt180 174.8 165.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.843 HG12 ' CG1' ' A' ' 100' ' ' VAL . 7.5 m -88.29 144.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.271 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.855 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -120.34 -13.48 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.638 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.855 ' HG3' HG13 ' A' ' 84' ' ' VAL . 24.2 mttt -147.9 151.04 35.21 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.911 0.386 . . . . 0.0 111.116 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -146.61 129.71 16.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 151.99 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 7.2 mm-40 -112.02 151.4 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.28 145.71 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.76 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -113.96 120.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.0 m -161.29 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 42.3 m 59.11 28.19 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.92 -111.71 0.54 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.305 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -147.68 114.61 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.007 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.473 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.7 ttm -112.91 131.05 55.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -116.03 118.81 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 111.25 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -103.39 101.35 11.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -122.49 141.55 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.348 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.93 HG22 HD11 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -107.02 139.31 41.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.435 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.843 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -139.49 160.86 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 111.382 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 81' ' ' VAL . 13.7 mt-10 -89.41 133.51 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.394 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.802 HG11 HD22 ' A' ' 78' ' ' LEU . 20.6 t -124.0 148.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.94 0.4 . . . . 0.0 111.458 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -126.67 147.8 49.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.744 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -151.37 108.41 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.02 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.96 29.53 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.14 -27.51 16.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.84 109.53 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.9 tptm -104.28 136.43 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -160.35 175.62 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 99' ' ' THR . 10.5 tp -115.01 121.24 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -121.55 141.28 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.06 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.585 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.0 OUTLIER -93.41 145.45 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.1 131.09 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.6 ptpt -116.26 115.64 26.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 62' ' ' LEU . 21.9 t -106.59 150.15 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.473 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 27.6 t90 -125.85 141.51 51.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.14 126.42 9.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.467 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.5 mp0 -99.93 174.28 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.995 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -116.39 -38.56 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.933 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -82.54 -21.08 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.065 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 ttt -97.64 -25.33 15.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.706 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 52.08 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.17 150.42 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.8 132.65 12.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.643 ' OE1' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -162.76 175.28 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.707 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.5 tt -87.9 135.04 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 4.3 mp0 -93.68 -58.01 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -145.76 156.73 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 111.686 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.823 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.9 t80 -137.86 109.23 6.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.181 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.97 151.25 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 111.065 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.9 p90 -111.47 110.06 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.45 HD12 ' HG ' ' A' ' 110' ' ' LEU . 6.0 mt -87.43 -170.09 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.65 -78.87 0.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -167.03 149.57 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.805 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.33 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 60.51 41.42 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.71 -76.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -157.46 53.51 0.69 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.8 136.86 23.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.584 2.189 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.2 107.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.95 154.7 1.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 168.49 21.42 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.565 2.176 . . . . 0.0 112.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -133.33 156.55 79.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.27 -168.24 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.79 -169.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.12 -174.7 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -162.18 -177.42 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.44 -176.84 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -90.67 160.12 39.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo -70.66 96.65 0.68 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.59 -34.17 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -68.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.98 147.69 34.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . . . -174.46 148.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -86.34 -42.41 13.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.46 110.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -148.23 151.91 36.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -132.92 147.57 52.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.82 -52.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.89 174.59 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.07 62.95 0.33 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.526 HD12 ' CE2' ' A' ' 57' ' ' PHE . 4.0 mm? -106.24 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -176.48 102.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 32' ' ' GLU . 4.2 pp -106.71 178.99 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' N ' HD12 ' A' ' 31' ' ' LEU . 1.2 pm0 -131.9 125.47 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 60.27 177.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.03 112.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -67.69 74.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 58.85 80.65 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.27 145.18 59.17 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.609 2.206 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 144.14 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.69 -169.3 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -138.41 87.52 15.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 167.39 25.17 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.555 2.17 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.38 158.47 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -179.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.8 166.7 24.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.16 -165.4 27.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CG ' ' A' ' 89' ' ' GLN . 16.1 mm -81.32 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -170.16 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.99 132.12 53.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -140.22 52.55 3.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.5 Cg_endo -59.15 -73.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.519 2.146 . . . . 0.0 112.343 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 54' ' ' GLU . 1.4 tt 58.69 56.29 4.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -59.42 -29.46 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -84.37 57.71 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.742 ' HB2' HD23 ' A' ' 51' ' ' LEU . 5.2 tm-20 -100.12 17.26 21.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -58.35 -29.58 66.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.89 -52.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.593 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 29' ' ' LEU . 81.3 m-85 -60.23 -43.16 96.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -69.72 -53.72 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.612 ' HE3' HG22 ' A' ' 83' ' ' VAL . 4.4 ptmt -58.15 -45.58 87.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.23 -46.57 83.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.52 -42.47 82.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.45 -53.75 38.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.78 -54.34 45.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -37.94 80.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -58.93 -61.93 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.879 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -55.76 -54.08 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.274 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -51.31 -51.93 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -28.67 68.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.03 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.768 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -88.79 -19.22 26.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.685 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.6 m120 -84.81 -25.91 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.85 -35.15 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -51.69 -43.49 62.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.463 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.84 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.747 0.308 . . . . 0.0 111.373 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.45 168.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.402 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.21 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.307 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.17 86.36 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -105.47 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -137.96 133.3 33.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 111.241 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.99 149.61 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.626 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' HE3' ' A' ' 108' ' ' LYS . 10.4 m -103.76 -37.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt85 174.38 165.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.846 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.6 m -89.63 142.06 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.238 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.879 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -116.86 -15.01 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.451 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.879 ' HG3' HG13 ' A' ' 84' ' ' VAL . 10.2 mttm -148.22 151.69 35.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -152.96 137.47 16.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.1 153.47 35.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -108.9 152.04 25.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.437 ' CG ' HD13 ' A' ' 46' ' ' ILE . 7.3 mt-30 -148.42 154.06 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.718 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.16 116.79 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.274 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.0 101.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 48.5 m 60.85 25.77 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.93 -112.61 0.57 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.223 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -144.89 114.72 7.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -113.9 128.24 56.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.663 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.565 ' CD2' HD12 ' A' ' 98' ' ' LEU . 3.1 t60 -114.34 123.21 48.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.125 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 5.1 m-85 -110.0 108.96 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -131.73 141.69 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.058 0.456 . . . . 0.0 111.199 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.959 HG22 HD11 ' A' ' 110' ' ' LEU . 2.3 m -107.7 135.32 49.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.846 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -136.55 159.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 111.325 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.1 mt-10 -89.35 135.99 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.529 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 78' ' ' LEU . 16.2 t -126.81 150.34 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -126.68 147.58 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.753 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -145.99 106.8 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.039 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.01 29.82 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.64 -27.8 15.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -70.38 109.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 81' ' ' VAL . 7.0 tptm -99.02 139.86 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 16.3 mttm -161.51 173.05 15.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.6 tp -114.61 120.67 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.2 m-85 -120.78 146.72 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.59 143.46 30.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.84 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -133.97 136.9 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.9 ptpt -123.73 117.41 24.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.865 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.72 150.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.228 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.5 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.4 t90 -127.21 144.38 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -154.54 124.65 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.468 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.9 mp0 -99.77 175.31 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.54 -37.22 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.411 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -83.57 -20.88 32.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.41 -24.97 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 110.704 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.49 42.1 9.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.21 139.38 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.21 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -162.79 175.31 11.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.879 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.95 137.58 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.514 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -93.29 -61.01 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -146.02 157.19 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 111.378 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.84 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.8 t80 -138.63 106.89 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.267 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.06 151.22 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.452 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -108.63 109.73 21.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.493 HD12 ' HG ' ' A' ' 110' ' ' LEU . 2.3 mt -87.52 -179.42 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.03 -72.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -176.51 160.23 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.964 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 tpp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.841 0.353 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.71 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 60.49 80.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.86 -75.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.95 54.36 13.95 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.62 -28.04 21.61 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.565 2.177 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -129.11 100.33 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -176.16 165.46 1.75 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 179.84 2.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.616 2.211 . . . . 0.0 112.242 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.444 HG21 ' CZ3' ' A' ' 116' ' ' TRP . 4.4 m -133.39 156.04 80.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.89 -167.97 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.775 2.316 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.5 119.32 9.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.51 171.8 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -177.59 98.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.53 179.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.773 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.25 168.32 17.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.773 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.9 Cg_endo -72.53 -178.22 3.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.02 90.41 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.17 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.92 -176.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.88 -169.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -127.17 -45.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.64 -169.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.72 -176.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.44 87.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.75 -43.06 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -149.83 161.91 41.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.22 56.01 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD21 ' CG ' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -108.09 129.47 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.551 ' N ' HD13 ' A' ' 29' ' ' LEU . 4.0 t60 -143.85 106.2 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.658 HD23 ' CD2' ' A' ' 57' ' ' PHE . 0.3 OUTLIER -128.47 141.51 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.639 ' N ' HD13 ' A' ' 31' ' ' LEU . 1.6 tt0 -131.61 97.59 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -121.36 -74.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -152.29 -50.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.91 75.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.55 82.38 0.23 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 177.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.523 2.149 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.5 -174.53 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.72 169.54 16.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -105.46 87.9 2.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.35 166.0 28.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.535 2.157 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.93 158.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.16 173.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.82 144.57 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.554 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.24 -164.76 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.725 HD11 ' NE2' ' A' ' 89' ' ' GLN . 25.5 mm -77.68 69.6 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -177.5 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -74.47 109.49 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.571 ' HB2' ' HG2' ' A' ' 88' ' ' GLU . . . -175.45 63.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.98 -25.99 23.75 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.185 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.887 HD12 ' CB ' ' A' ' 86' ' ' ALA . 1.0 OUTLIER 59.67 63.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.69 -29.31 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -83.99 58.19 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.693 ' HG2' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -99.37 17.21 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.41 -30.8 67.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.08 -47.41 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.553 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.658 ' CD2' HD23 ' A' ' 31' ' ' LEU . 78.4 m-85 -65.95 -40.45 91.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.03 -50.83 37.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.62 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.51 -42.23 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -66.85 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -57.28 -45.24 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -64.15 -52.94 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.52 -54.31 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -35.27 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -60.25 -58.49 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.13 -53.83 53.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.0 t -51.4 -51.53 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.11 -28.04 67.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.63 -41.85 92.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.639 ' OH ' HD21 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -89.8 -19.18 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.639 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.86 -27.06 26.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.519 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -80.88 -36.04 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -51.44 -42.95 61.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.372 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.69 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.339 . . . . 0.0 111.227 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.26 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.272 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.75 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.72 44.21 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.042 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.995 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -58.89 -178.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.716 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.88 134.01 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 111.313 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -81.62 149.46 28.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.695 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.516 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -104.54 -37.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 26.8 ptt-85 176.24 164.31 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.763 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -89.28 142.35 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.23 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.5 p -118.49 -15.14 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.678 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.905 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.2 mttt -148.04 156.01 42.14 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.938 0.399 . . . . 0.0 111.255 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.887 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.2 130.53 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.989 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 155.39 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 49' ' ' ALA . 2.7 mm-40 -116.94 157.37 25.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.725 ' NE2' HD11 ' A' ' 46' ' ' ILE . 2.4 tt0 -159.19 149.49 19.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.0 t -111.62 118.74 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.32 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.3 m -160.31 100.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.934 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.9 m 60.81 25.13 15.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.15 -112.44 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.7 mmt -145.46 114.71 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.71 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.8 ttm -111.29 145.59 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 115' ' ' VAL . 0.4 OUTLIER -138.06 118.45 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 3.8 m-85 -101.45 103.82 14.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.414 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.84 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.05 141.64 47.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.927 0.394 . . . . 0.0 111.375 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.921 HG22 HD11 ' A' ' 110' ' ' LEU . 1.2 m -111.56 132.91 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.432 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.763 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -134.92 161.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 111.331 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 81' ' ' VAL . 10.5 mt-10 -89.34 133.67 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.464 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.995 HG11 HD22 ' A' ' 78' ' ' LEU . 13.2 t -123.88 151.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 111.473 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -126.67 143.82 51.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.754 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -143.56 104.02 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.18 29.68 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.36 -27.02 18.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.568 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -69.18 109.52 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.516 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.5 tptm -98.0 133.32 42.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 20.2 mtpt -156.55 171.0 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.08 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.7 tp -113.19 119.88 39.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.555 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.3 m-85 -120.08 145.16 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.433 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.8 OUTLIER -99.15 146.01 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.861 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.86 130.24 35.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 5.2 ptpt -113.33 114.47 26.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 0.0 110.868 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.443 ' HB ' ' CD2' ' A' ' 96' ' ' HIS . 13.2 t -106.67 150.07 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.259 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.71 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.7 t90 -125.81 142.09 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.75 124.19 8.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.464 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.4 mp0 -99.21 174.3 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.03 -37.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.33 -20.37 34.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 -24.47 15.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.17 48.92 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.89 148.45 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.81 128.5 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.79 173.23 14.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.8 tt -87.15 136.55 32.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.698 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -93.83 -55.09 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.249 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -145.32 157.01 44.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.298 0.57 . . . . 0.0 111.705 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.861 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.8 t80 -136.42 109.54 7.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.4 p -98.98 151.29 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 111.059 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 23.6 p90 -111.23 110.28 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.419 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.4 mt -87.81 -169.97 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.0 -68.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -176.62 160.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 1.08 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 tpp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.836 0.35 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.97 -42.91 56.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.62 -176.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 61.06 34.15 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 3.5 mt-30 178.55 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' A' ' 5' ' ' GLN . 53.6 Cg_exo -52.38 140.93 52.17 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.475 2.117 . . . . 0.0 112.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.14 99.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -170.21 160.55 6.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 135.32 30.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.572 2.181 . . . . 0.0 112.291 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -108.87 156.49 38.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.2 Cg_endo -74.53 -168.21 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.609 2.206 . . . . 0.0 112.372 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.69 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 169.66 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.83 93.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -168.84 158.0 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.87 156.99 79.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.4 Cg_endo -70.0 -178.37 2.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.524 2.149 . . . . 0.0 112.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -171.11 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.61 78.09 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -152.39 163.7 38.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -176.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -131.48 84.59 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.67 143.72 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -152.32 135.62 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.03 79.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -143.96 -69.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -158.79 -179.02 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.3 103.56 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -138.86 -67.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m80 60.12 -177.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.8 tm? -161.99 -65.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.13 109.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -171.56 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -176.69 -40.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -169.85 157.65 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.24 109.39 1.79 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 52.2 Cg_endo -69.17 -167.63 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.435 2.09 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -164.02 -167.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -148.3 -178.5 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -132.43 90.95 32.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.61 166.84 24.54 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -66.77 158.96 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.93 118.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.71 -156.27 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.53 76.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -171.16 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.5 110.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 86' ' ' ALA . . . -136.64 50.49 3.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.283 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 82.4 Cg_endo -77.59 -30.89 3.64 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.469 2.113 . . . . 0.0 112.255 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 56.9 tp 56.73 96.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -85.1 -21.33 29.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 5.5 p-10 -94.65 43.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -93.76 17.05 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -65.19 -51.29 61.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.03 -54.33 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.523 ' CG ' HD11 ' A' ' 29' ' ' LEU . 40.6 m-85 -67.52 -42.9 82.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 53' ' ' ASN . 1.2 m-20 -69.81 -48.09 60.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -59.89 -41.9 92.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.86 -44.26 77.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.4 -45.31 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 115' ' ' VAL . 7.9 tp -65.87 -53.15 43.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.805 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.99 -54.31 37.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -37.03 84.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.47 -56.42 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.954 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.51 45.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 63' ' ' ALA . 41.8 t -51.79 -55.04 10.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -64.4 -29.35 70.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -64.57 -42.36 95.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.504 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.62 -19.26 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.682 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.6 m120 -84.65 -25.67 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.605 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -82.95 -35.49 25.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 111.243 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -51.58 -43.47 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.435 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.36 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.91 170.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.347 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.254 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.82 87.13 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.815 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.5 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.718 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -138.55 134.87 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.84 149.5 27.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG23 ' HG2' ' A' ' 82' ' ' ARG . 10.9 m -103.38 -36.87 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 175.52 164.66 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.782 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.5 m -90.43 141.28 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.784 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -114.33 -19.53 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.346 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.784 ' HG3' HG13 ' A' ' 84' ' ' VAL . 13.0 mttt -145.4 153.64 41.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 51' ' ' LEU . . . -153.38 122.15 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 151.58 48.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 96' ' ' HIS . 11.6 mp0 -110.5 150.61 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 10.6 tt0 -155.06 153.56 31.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 t -118.74 121.47 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.281 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.563 HG21 ' SD ' ' A' ' 95' ' ' MET . 7.1 m -159.36 98.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.404 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 28.9 t 60.26 27.63 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.32 -113.11 0.58 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.4 mmt -143.99 114.72 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.75 146.59 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.749 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 3.8 t-160 -138.0 120.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.18 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.1 m-85 -105.26 101.74 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.23 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -118.5 141.58 48.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.365 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.945 HG22 HD11 ' A' ' 110' ' ' LEU . 1.9 m -109.04 129.36 55.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.782 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -131.32 160.39 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 111.349 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.9 mt-10 -89.34 134.25 34.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.815 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -123.37 151.14 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.97 0.414 . . . . 0.0 111.505 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -129.95 149.96 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.664 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -154.55 110.03 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.07 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.72 29.62 9.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.315 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.0 -27.73 16.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -70.3 109.51 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.8 tptm -106.28 141.13 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 33.4 mttt -163.58 175.86 10.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.074 HD22 ' HB2' ' A' ' 135' ' ' ALA . 18.1 tp -114.2 120.09 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.615 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.6 m-85 -121.56 146.65 46.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.1 OUTLIER -100.01 144.19 29.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.48 132.66 39.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.207 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 4.4 ptpt -115.68 115.25 26.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 62' ' ' LEU . 21.5 t -106.59 150.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.274 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -125.97 142.77 51.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -152.01 122.06 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.7 mp0 -98.29 174.09 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.52 -37.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.404 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.9 p90 -83.27 -20.75 33.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.0 -25.01 15.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.761 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.36 45.93 6.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.09 139.23 48.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 126.03 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -162.71 173.4 13.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.954 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.5 tt -87.25 139.92 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -97.37 -54.34 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.224 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -145.52 155.98 43.42 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.296 0.57 . . . . 0.0 111.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.8 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.5 t80 -137.42 107.83 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 12.1 p -98.9 151.27 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p90 -109.69 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.5 mt -88.08 -169.6 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.99 -71.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -176.9 160.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 1.074 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.819 0.343 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.02 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 62.38 30.79 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.43 -50.44 45.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.786 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 6.1 mp0 -73.6 -60.23 1.7 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 58.0 Cg_endo -71.77 -174.42 1.3 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.35 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 39.59 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -140.36 162.44 49.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 -179.9 3.28 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -127.51 156.69 74.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.3 Cg_endo -74.35 -168.21 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.84 -169.7 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.17 171.73 9.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -149.87 -176.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.77 -174.42 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.52 155.12 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.07 174.26 10.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.578 2.185 . . . . 0.0 112.276 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.49 82.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.27 -62.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 60.62 173.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.24 110.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 60.34 103.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.54 36.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -131.65 151.41 51.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -131.82 -58.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -74.8 -31.52 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 61.15 112.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.722 ' C ' HD22 ' A' ' 29' ' ' LEU . . . -130.75 -67.44 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.768 HD12 ' CE2' ' A' ' 57' ' ' PHE . 3.9 mm? -133.14 -178.63 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.663 ' O ' HD22 ' A' ' 31' ' ' LEU . 2.7 t60 -67.64 114.52 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.775 HD21 ' OD1' ' A' ' 61' ' ' ASP . 3.1 mm? -134.55 -175.54 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.89 79.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -172.96 -41.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.9 31.12 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 60.22 38.7 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 60.48 87.53 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.17 172.18 13.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.582 2.188 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.75 162.55 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 -171.95 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 2.7 m-70 -106.13 145.65 31.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.48 -170.38 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.2 tt -115.75 158.66 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.44 149.36 25.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.18 166.58 22.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.88 -155.41 31.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.714 HD13 ' HG2' ' A' ' 89' ' ' GLN . 16.5 mm -94.89 75.86 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -177.31 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.07 127.56 32.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -142.72 52.56 2.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 75.9 Cg_endo -77.49 -33.39 2.44 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.553 2.168 . . . . 0.0 112.409 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' CB ' ' A' ' 86' ' ' ALA . 2.3 tt 56.88 76.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.84 -56.17 25.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.06 67.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -105.63 17.13 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -58.81 -30.87 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.61 -49.95 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.768 ' CE2' HD12 ' A' ' 29' ' ' LEU . 85.4 m-85 -64.79 -37.49 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.01 -50.65 39.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.678 ' HE3' HG22 ' A' ' 83' ' ' VAL . 11.5 ptmt -60.24 -38.42 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HG3' HD23 ' A' ' 29' ' ' LEU . 4.1 mm-40 -67.95 -56.01 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.775 ' OD1' HD21 ' A' ' 31' ' ' LEU . 2.7 m-20 -58.55 -42.14 87.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -61.78 -53.58 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.788 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.87 -54.28 46.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -37.11 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -58.6 -59.09 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.52 -53.5 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.5 t -51.31 -50.98 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -28.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.7 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.4 -41.63 96.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -90.34 -20.06 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.687 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.8 m120 -84.94 -23.8 28.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.693 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.41 -35.63 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.393 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.82 -45.67 59.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.85 -32.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.593 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.15 173.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.239 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.59 -174.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.79 80.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -103.16 -176.88 3.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.713 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -138.98 140.58 38.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.33 149.44 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 28.2 m -104.18 -38.01 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 9.3 ptm180 178.13 165.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.817 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.773 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.53 143.83 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.802 HG13 ' HG3' ' A' ' 85' ' ' LYS . 7.7 p -117.85 -17.56 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.802 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.1 mttt -146.33 156.13 43.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.924 0.392 . . . . 0.0 111.188 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.586 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.72 125.76 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.001 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 148.51 51.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -116.8 127.47 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.714 ' HG2' HD13 ' A' ' 46' ' ' ILE . 13.8 mt-30 -136.62 153.51 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.594 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -113.06 122.93 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -161.01 99.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.403 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.3 m 60.66 25.52 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.772 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.71 -112.37 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.186 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.5 mmt -145.26 114.67 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 5.8 ttm -117.94 129.79 55.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -118.23 120.04 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.242 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.441 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -99.07 94.43 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.65 141.59 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.419 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 110' ' ' LEU . 2.7 m -113.32 135.17 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.284 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.773 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -135.68 161.47 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -89.38 134.13 34.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.375 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 78' ' ' LEU . 13.9 t -123.6 154.6 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -130.92 146.36 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.773 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -145.62 106.82 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.04 29.72 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.267 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.56 -27.7 15.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -69.79 109.55 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -99.26 140.41 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 mttt -162.21 173.41 14.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.975 HD22 ' HB2' ' A' ' 135' ' ' ALA . 13.7 tp -114.15 119.77 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.8 m-85 -120.39 143.03 48.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.083 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.661 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.01 144.72 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.882 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.12 130.16 30.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.2 ptpt -119.43 117.76 29.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.817 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.67 150.11 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.254 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.5 t90 -125.49 143.32 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 22.6 tt0 -153.28 123.71 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.75 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.6 mp0 -100.26 174.45 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.38 -37.84 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.7 p90 -82.56 -21.17 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.61 -25.04 15.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.69 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.35 45.08 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -132.45 140.52 48.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.55 127.4 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -162.7 173.78 13.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.0 tt -77.99 139.9 39.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -95.74 -60.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -146.23 157.13 43.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.322 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.882 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.9 t80 -137.67 109.98 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.233 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.8 p -98.95 150.84 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.114 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.447 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 17.0 p90 -109.74 105.85 15.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.482 HD12 ' HG ' ' A' ' 110' ' ' LEU . 1.9 mt -88.54 175.08 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.73 -74.8 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -173.55 158.84 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.975 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.828 0.347 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.72 -30.96 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.25 -22.9 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 62.78 95.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 2.4 mm-40 -178.47 -61.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 5' ' ' GLN . 55.3 Cg_endo -69.93 161.33 46.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.473 2.115 . . . . 0.0 112.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tttp 61.32 86.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -176.8 158.29 1.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.21 -179.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.579 2.186 . . . . 0.0 112.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -141.56 156.34 66.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.6 Cg_endo -74.8 -168.1 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.47 119.57 22.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.92 156.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.96 83.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.75 148.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -110.48 158.58 35.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.5 Cg_endo -71.93 139.94 34.06 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.533 2.156 . . . . 0.0 112.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.43 -176.35 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.22 -179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.81 176.2 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.3 109.29 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.33 109.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.84 161.58 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -134.97 85.65 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -105.4 -46.79 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -160.33 88.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -89.49 160.87 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.49 -36.28 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -94.27 133.35 37.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.482 ' N ' HD13 ' A' ' 29' ' ' LEU . 8.2 m80 -78.76 -176.36 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.32 -168.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 61.84 79.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -138.19 -68.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.78 -30.63 26.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' A' ' 16' ' ' ALA . 55.3 tp60 -169.32 145.53 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -105.67 87.73 2.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 170.1 17.32 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.55 2.167 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -176.53 153.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -88.08 149.34 45.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.45 -168.01 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.561 2.174 . . . . 0.0 112.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.7 tp -121.06 134.03 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 ptp 45.58 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.352 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.778 ' HA3' HG23 ' A' ' 90' ' ' VAL . . . -145.02 167.31 27.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.22 131.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' OE1' ' A' ' 89' ' ' GLN . 27.3 mm -96.01 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.91 31.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -123.29 -67.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 56.43 52.96 7.14 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -76.68 -44.95 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.394 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 86' ' ' ALA . 6.1 tt 52.01 73.02 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -59.67 -54.54 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.16 73.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' HB3' HD23 ' A' ' 51' ' ' LEU . 8.5 pt-20 -105.61 17.13 24.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -59.0 -30.71 68.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.4 -46.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CG ' HD11 ' A' ' 29' ' ' LEU . 27.2 m-85 -66.5 -35.06 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.77 -50.35 25.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -60.42 -41.27 93.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -70.26 -44.55 68.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.42 -45.66 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -67.46 -53.19 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.823 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -50.75 -54.27 24.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -63.83 -38.84 92.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.719 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.54 -53.57 56.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.712 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.27 -54.15 47.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.3 t -52.54 -52.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -66.46 -28.71 68.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -64.83 -42.51 94.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -89.28 -18.8 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.749 ' OD1' HD11 ' A' ' 78' ' ' LEU . 8.8 m120 -85.51 -26.59 26.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.563 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -81.31 -35.61 30.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.243 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -42.13 60.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.17 -38.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.299 . . . . 0.0 111.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.06 169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.52 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 88.75 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.91 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.49 -176.41 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -138.83 133.17 31.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.141 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.46 149.51 28.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.625 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.5 m -104.1 -36.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.4 ptt180 175.47 164.78 0.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.0 m -89.86 141.46 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.261 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.907 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -116.23 -14.37 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.487 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.907 ' HG3' HG13 ' A' ' 84' ' ' VAL . 19.0 mttt -147.68 155.88 42.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.48 127.42 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -135.14 158.72 43.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.92 150.39 43.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.589 ' OE1' HD11 ' A' ' 46' ' ' ILE . 3.0 tp60 -156.47 149.67 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.778 HG23 ' HA3' ' A' ' 44' ' ' GLY . 20.2 t -110.69 122.62 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.8 m -160.23 97.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.4 m 60.5 27.24 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.27 -112.1 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.267 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.42 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.4 mmt -147.82 114.73 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.969 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.426 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 7.2 ttm -114.95 141.72 47.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.22 127.61 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.163 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -108.65 95.72 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.377 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.506 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.51 141.72 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.405 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.954 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -111.61 135.23 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.392 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.871 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.9 m -137.17 158.49 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.329 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.34 132.74 34.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.484 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 78' ' ' LEU . 21.8 t -119.3 151.74 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.987 0.422 . . . . 0.0 111.534 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.44 146.94 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.586 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -137.75 86.66 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.57 31.44 7.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.424 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.67 -39.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.36 109.42 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 8.8 tptm -107.88 140.35 41.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 13.9 mttp -165.24 176.09 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 99' ' ' THR . 11.7 tp -115.94 121.76 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 5.1 m-85 -121.78 142.67 49.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.534 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -93.13 141.15 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.89 130.05 39.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.53 ' HZ1' HG23 ' A' ' 130' ' ' THR . 0.1 OUTLIER -118.25 118.02 30.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.71 150.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.6 t90 -126.58 141.84 51.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -151.45 126.02 9.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.752 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.89 175.12 5.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.983 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.75 -37.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -83.87 -21.2 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -25.2 15.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.21 41.89 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.07 140.98 51.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 130.32 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -162.68 173.92 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.274 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.712 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.5 tt -80.9 133.76 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.663 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -88.21 -63.61 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -146.55 157.21 43.7 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.149 0.499 . . . . 0.0 111.344 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.765 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 11.4 t80 -135.82 107.45 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.302 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.53 HG23 ' HZ1' ' A' ' 114' ' ' LYS . 17.8 p -98.94 150.02 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.025 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 34.5 p90 -106.41 111.1 23.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.89 -169.87 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -103.57 83.3 0.41 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 p30 47.29 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.707 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.059 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.83 0.347 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.12 -29.85 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 61.71 30.16 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -72.1 -48.48 43.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 2.3 mp0 -73.11 -60.21 1.88 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 58.6 Cg_endo -72.02 170.57 18.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.483 2.122 . . . . 0.0 112.294 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG3' HG12 ' A' ' 91' ' ' VAL . 0.1 OUTLIER 60.94 79.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 149.43 0.85 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.94 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -148.78 156.57 41.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 66.9 Cg_endo -74.36 -168.16 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.6 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.12 150.57 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -176.85 102.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.63 167.99 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.55 154.16 81.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.41 113.76 3.72 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.555 2.17 . . . . 0.0 112.313 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.34 -171.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.0 -75.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -106.22 136.58 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.1 115.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -106.0 -37.66 6.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.92 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.12 117.9 20.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -156.54 -67.35 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -178.6 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.19 113.66 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.09 -98.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 57' ' ' PHE . 4.3 mm? -105.02 171.86 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.81 158.32 43.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tp -176.56 157.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.41 -32.23 71.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 60.57 -179.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -175.22 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -171.11 35.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 60.13 83.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.0 -176.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -174.38 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.85 -179.6 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -128.65 88.35 52.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' A' ' 96' ' ' HIS . 55.0 Cg_endo -69.78 160.59 49.14 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.567 2.178 . . . . 0.0 112.312 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.2 tp -92.9 154.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.574 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -55.35 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -177.71 20.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.72 -172.15 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.6 mm -81.62 78.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -177.55 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.74 146.42 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -163.11 52.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.4 Cg_endo -77.23 -32.21 3.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.739 HD22 ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER 57.28 89.34 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.936 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -79.59 -30.96 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -86.66 66.22 9.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.739 ' CG ' HD22 ' A' ' 51' ' ' LEU . 35.7 mt-10 -104.8 17.09 24.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -62.4 -31.28 71.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.67 -49.74 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 29' ' ' LEU . 32.4 m-85 -68.4 -37.18 80.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.61 -46.33 54.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.5 ptmt -63.53 -41.79 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.02 -49.21 59.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -57.21 -43.45 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.779 HD21 HD22 ' A' ' 98' ' ' LEU . 7.4 tp -65.71 -52.97 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.74 -54.38 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -36.35 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.74 -57.33 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.878 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.12 -54.1 48.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.7 t -51.36 -53.2 16.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -66.95 -29.21 69.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -64.02 -40.75 97.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.801 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.1 p90 -91.4 -20.1 22.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.678 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.2 m120 -84.92 -23.01 29.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.701 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.98 -35.95 23.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.334 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -50.63 -46.03 58.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.49 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.87 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.507 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.02 173.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.897 0.38 . . . . 0.0 111.274 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.08 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.208 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.09 86.45 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.867 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -106.78 -177.49 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -138.61 133.09 32.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.078 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.8 149.52 29.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.534 HG21 ' HE2' ' A' ' 108' ' ' LYS . 11.2 m -104.18 -36.61 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.006 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.3 ptt85 176.63 163.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.839 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.2 m -91.34 141.86 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.345 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.2 p -115.84 -17.04 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.3 mttt -147.06 156.72 43.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -162.02 122.59 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -130.39 154.36 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -125.14 150.24 47.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -157.46 160.04 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 t -108.52 123.5 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.395 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' SD ' ' A' ' 95' ' ' MET . 12.5 m -158.94 95.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 14.1 m 61.25 26.73 16.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.12 -111.69 0.55 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.092 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.2 mmt -146.31 114.72 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 1.7 ttt -111.96 146.14 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.764 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 41' ' ' PRO . 8.8 t60 -138.0 117.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.4 m-85 -102.53 103.91 14.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.779 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.36 141.69 48.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.997 0.427 . . . . 0.0 111.526 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.958 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.68 129.79 55.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.321 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.839 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -133.13 161.15 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 111.397 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.1 mt-10 -89.31 130.67 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.423 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.867 HG11 HD22 ' A' ' 78' ' ' LEU . 17.2 t -120.5 149.59 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.502 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -127.57 144.96 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.649 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.38 109.68 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.078 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.01 29.41 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.309 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.8 15.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -67.57 109.5 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.534 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.88 132.11 47.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -158.12 173.56 16.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.153 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.0 tp -114.87 121.39 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.599 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.0 m-85 -120.84 147.43 45.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.9 OUTLIER -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.31 131.45 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 6.9 ptpt -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.63 150.13 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.257 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.715 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.3 t90 -125.62 142.79 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.772 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 121.19 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.461 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.84 174.04 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.76 -38.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -82.55 -21.25 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -25.2 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 46.53 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -132.42 137.97 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.44 125.26 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.404 ' OE1' ' CE1' ' A' ' 123' ' ' PHE . 1.9 pt20 -162.71 174.95 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.878 HD12 ' HB1' ' A' ' 66' ' ' ALA . 5.4 tt -87.55 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -94.21 -59.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.284 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -141.62 157.17 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.23 0.538 . . . . 0.0 111.758 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.1 t80 -136.81 109.1 7.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.086 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -98.97 151.28 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.073 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 31.2 p90 -111.1 110.98 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.8 mt -87.33 -170.17 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.32 -68.01 1.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -176.08 161.23 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.08 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.799 0.333 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.54 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . . . -59.47 -46.29 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.24 106.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -160.53 68.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.9 mm100 59.37 53.8 4.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.602 ' O ' HG11 ' A' ' 91' ' ' VAL . 57.6 Cg_endo -71.27 -45.41 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.586 2.191 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -116.81 106.21 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -174.45 150.52 1.48 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.86 179.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.2 m -140.67 155.82 69.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.6 Cg_endo -75.7 -167.99 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.59 119.7 12.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.56 161.5 32.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.66 177.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.806 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 72.99 86.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -56.53 167.68 0.94 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.196 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo -71.56 170.49 18.43 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.568 2.179 . . . . 0.0 112.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.26 99.47 9.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.06 109.19 20.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.38 -37.58 85.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.41 136.31 27.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.9 154.24 47.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.58 -169.94 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -137.44 133.33 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -148.08 -56.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -60.39 134.09 56.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 60.33 170.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.67 28.4 15.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 29' ' ' LEU . 1.5 mm? -105.71 -172.92 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -168.05 -174.69 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 2.8 tp -158.6 147.21 18.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.48 157.77 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -65.63 79.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -161.5 -175.38 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -176.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -102.96 91.91 3.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.54 155.29 70.82 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.464 2.109 . . . . 0.0 112.302 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -174.28 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.42 178.6 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -112.99 88.51 12.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.3 170.68 15.46 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.545 2.163 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -114.94 158.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -176.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.97 138.3 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -163.89 0.12 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.85 HD12 ' NE2' ' A' ' 89' ' ' GLN . 16.9 mm -87.88 53.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -174.12 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.69 118.98 5.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -165.73 63.27 0.87 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.25 -27.52 38.6 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.462 2.108 . . . . 0.0 112.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 57.67 69.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.54 -31.98 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -90.2 52.58 2.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.19 17.17 13.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -58.49 -30.46 67.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.04 -44.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.746 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 3.0 t80 -65.58 -43.35 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -67.63 -52.32 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -57.7 -41.72 82.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -67.54 -43.87 79.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.562 ' OD1' HD11 ' A' ' 31' ' ' LEU . 2.8 m-20 -58.78 -45.72 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.504 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -66.26 -53.59 35.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.803 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -52.09 -54.3 31.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -62.23 -38.48 89.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.677 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.82 -57.29 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.89 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.14 -53.94 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.053 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 63' ' ' ALA . 47.4 t -51.44 -51.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 16' ' ' ALA . 11.4 ttp180 -67.02 -28.22 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -42.61 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -89.08 -19.17 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.09 -26.08 27.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.627 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.24 -35.24 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.236 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -51.76 -43.28 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.415 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.63 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.376 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.41 169.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.05 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.97 90.47 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.69 HD11 ' OD1' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -107.56 -176.21 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.701 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.17 133.01 30.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -83.24 149.46 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.692 HG21 ' NZ ' ' A' ' 108' ' ' LYS . 30.3 m -104.69 -35.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.265 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.655 ' HG2' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER 174.45 163.72 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.859 HG12 ' CG1' ' A' ' 100' ' ' VAL . 8.5 m -88.33 141.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.914 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -116.38 -13.87 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.569 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.914 ' HG3' HG13 ' A' ' 84' ' ' VAL . 14.1 mttm -148.12 156.86 43.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.785 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.59 130.63 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -136.97 149.99 47.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -112.5 133.81 54.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.85 ' NE2' HD12 ' A' ' 46' ' ' ILE . 1.2 mt-30 -134.29 157.93 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -124.06 118.05 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' O ' ' A' ' 6' ' ' PRO . 4.2 m -159.94 102.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 49.2 m 58.91 23.62 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.84 -115.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.179 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.3 mmt -144.82 114.69 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.452 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.7 ttm -112.04 143.44 43.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.24 116.89 18.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.224 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.76 97.32 8.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.408 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.504 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.81 141.62 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.31 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.894 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.02 138.27 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.354 179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.859 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.07 156.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.802 0.334 . . . . 0.0 111.284 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 81' ' ' VAL . 22.6 mt-10 -89.41 124.75 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 78' ' ' LEU . 20.3 t -113.91 152.86 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.592 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -125.32 145.34 50.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -131.01 86.65 2.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.84 29.51 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.362 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.02 -38.29 2.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.85 109.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.808 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.692 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 3.7 tptt -99.96 139.33 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -163.87 174.02 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG22 ' A' ' 99' ' ' THR . 13.9 tp -116.97 121.55 41.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.667 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 5.4 m-85 -120.59 144.08 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.535 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -94.93 137.12 34.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.796 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -128.34 126.97 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.457 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 7.0 ptpt -115.22 116.14 27.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.864 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.7 p -106.59 150.03 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.466 ' CZ2' ' CG ' ' A' ' 118' ' ' GLN . 26.8 t90 -126.15 141.71 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.08 129.08 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.466 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -105.35 176.71 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -117.1 -36.57 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.0 p90 -84.22 -21.97 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -24.73 15.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.723 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.61 41.74 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -128.05 138.13 52.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 127.45 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -162.71 171.82 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.89 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -78.51 136.56 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.748 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -91.67 -61.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.38 157.23 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.099 0.476 . . . . 0.0 111.418 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.796 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.3 t80 -137.93 105.82 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.262 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.2 p -99.06 150.88 21.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.042 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 36.7 p90 -106.09 111.23 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.8 mt -90.51 -170.66 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.68 82.96 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 47.27 -175.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.966 0.413 . . . . 0.0 111.595 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.791 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.1 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.814 0.34 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.98 -55.45 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -72.2 -25.11 61.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 59.76 30.77 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.8 mt-30 -87.46 -52.8 0.4 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 60.4 Cg_exo -51.55 163.9 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.485 2.123 . . . . 0.0 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tttp 60.65 84.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.65 149.2 0.87 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 177.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.579 2.186 . . . . 0.0 112.276 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 m -148.87 156.59 40.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.8 Cg_endo -74.46 -168.17 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.188 . . . . 0.0 112.367 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.85 119.71 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.24 167.28 3.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -176.75 100.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -176.51 166.67 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -135.09 160.42 68.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo -70.53 123.22 9.65 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.548 2.165 . . . . 0.0 112.374 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.09 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.02 110.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HB3' HD21 ' A' ' 77' ' ' LEU . 1.9 mp0 -162.06 119.96 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.41 159.03 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.88 -65.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.28 150.31 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -136.77 133.41 35.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -149.67 -69.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -104.33 126.11 51.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -105.36 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.7 172.76 48.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.54 -51.79 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -175.24 83.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.65 142.72 41.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -74.87 176.84 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.66 81.5 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -143.56 -176.72 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -65.11 -178.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -106.98 80.07 0.75 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 172.46 12.84 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.559 2.173 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.55 165.23 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.76 -175.24 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 40' ' ' HIS . 2.8 m-70 -102.08 148.93 36.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.97 -174.92 1.26 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.585 2.19 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.16 158.53 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 129.0 39.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.8 -161.67 27.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.24 -176.12 14.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.599 HD11 ' OE1' ' A' ' 89' ' ' GLN . 25.1 mm -75.38 79.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.23 -52.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.27 -177.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -172.88 64.99 0.34 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 25.6 Cg_exo -62.35 -65.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.564 2.176 . . . . 0.0 112.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 54.93 53.92 9.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -58.14 -30.71 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -83.87 58.37 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.61 17.14 18.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -58.52 -30.97 67.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.37 -49.22 0.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.79 -40.69 88.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -69.05 -49.43 57.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HE3' HG22 ' A' ' 83' ' ' VAL . 8.7 ptmt -60.5 -40.99 93.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -65.77 -50.25 65.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -58.55 -43.47 89.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.801 HD21 HD22 ' A' ' 98' ' ' LEU . 7.1 tp -61.66 -53.62 53.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.2 -54.35 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -35.71 77.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.61 -58.17 9.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.761 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.962 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.42 -54.62 44.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 63' ' ' ALA . 42.4 t -52.11 -55.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -63.59 -29.25 70.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -64.94 -43.06 93.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -89.55 -15.51 32.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.191 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.519 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.6 m120 -86.48 -33.6 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.432 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.93 -35.94 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.303 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.24 -43.64 61.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.448 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.87 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 111.405 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.23 171.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.12 -168.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.327 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -119.07 40.49 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -54.61 171.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -136.89 132.48 34.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 0.0 111.278 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -83.92 149.44 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.733 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG23 ' HG2' ' A' ' 82' ' ' ARG . 9.3 m -104.31 -37.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.6 ptt85 176.85 164.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -88.54 142.35 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.338 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.939 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.3 p -118.17 -14.98 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.564 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.939 ' HG3' HG13 ' A' ' 84' ' ' VAL . 12.0 mttt -147.96 156.32 42.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.893 0.378 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.04 130.1 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.035 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 152.76 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -111.77 159.76 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.599 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -164.5 142.87 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.732 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -107.09 120.52 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 90' ' ' VAL . 6.8 m -159.32 97.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m 60.6 26.77 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.35 -113.03 0.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -144.57 114.71 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.599 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -112.41 145.0 40.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -138.02 116.66 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.198 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.0 m-85 -99.7 102.49 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.244 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.801 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -115.96 141.65 47.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.487 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.978 HG22 HD11 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -109.7 134.42 52.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.776 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -135.56 161.61 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.396 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.6 mt-10 -89.24 131.14 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.235 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 78' ' ' LEU . 18.3 t -124.62 143.03 39.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.982 0.42 . . . . 0.0 111.706 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -120.09 148.76 43.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.552 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -148.08 105.08 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.99 30.33 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.96 -27.47 17.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -68.88 109.57 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.439 ' HE2' HG21 ' A' ' 81' ' ' VAL . 1.3 tptp -97.23 132.12 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.3 mttm -156.79 172.27 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.7 tp -115.27 120.92 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CE2' ' HB ' ' A' ' 102' ' ' VAL . 6.9 m-85 -120.22 143.81 48.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.5 OUTLIER -98.17 147.97 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -137.47 133.03 34.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 8.0 ptpt -115.1 116.77 28.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 62' ' ' LEU . 21.4 t -106.49 150.14 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.176 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.599 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.7 t90 -127.47 141.78 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -150.79 121.87 7.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -97.66 173.48 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -116.26 -38.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 42.4 p90 -82.44 -21.18 35.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -25.16 14.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.762 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.19 53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.0 139.78 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -144.07 126.43 15.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -162.79 173.35 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 0.0 111.206 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.962 HD12 ' HB1' ' A' ' 66' ' ' ALA . 4.0 tt -86.18 139.95 30.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.757 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 116' ' ' TRP . 13.5 mp0 -98.51 -54.78 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -145.59 155.86 43.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.332 0.587 . . . . 0.0 111.79 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.0 t80 -136.03 109.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.003 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.8 p -98.9 151.36 20.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.445 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.8 p90 -112.2 109.89 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' A' ' 110' ' ' LEU . 4.7 mt -87.58 -169.88 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.23 -70.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -176.36 158.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.98 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.51 -27.52 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 62.1 29.07 17.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.01 -45.2 14.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.722 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 1.9 mp0 -74.47 -54.02 3.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.989 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 72.7 Cg_endo -77.04 176.21 10.42 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.528 2.152 . . . . 0.0 112.373 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.42 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -177.24 151.84 0.94 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.2 179.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 112.304 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -133.97 156.45 79.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.67 -168.11 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.623 2.216 . . . . 0.0 112.289 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.2 119.72 29.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.42 142.82 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -177.0 79.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -169.37 161.89 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -109.7 164.18 15.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.1 Cg_endo -71.65 128.28 14.13 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.6 2.2 . . . . 0.0 112.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.93 -176.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.89 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -164.61 163.2 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.12 173.7 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -169.38 122.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -175.11 135.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -176.44 152.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -162.48 35.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.0 -50.04 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -140.2 177.82 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.14 75.53 2.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 29' ' ' LEU . 12.7 mt -157.95 117.38 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 t60 -64.45 162.12 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -176.71 -168.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.817 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 61.31 89.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -127.55 -49.48 1.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -143.82 75.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.72 37.98 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 60.62 87.96 0.13 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.25 -176.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.205 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 179.81 8.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -131.24 -176.58 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -131.08 87.93 46.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.36 173.85 10.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.9 tt -81.35 158.54 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -177.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.94 160.18 9.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.18 -167.2 29.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 20.6 mm -82.49 78.81 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 1.9 m-85 -176.57 -49.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.5 152.49 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -166.21 53.29 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.5 Cg_endo -75.97 -35.71 2.36 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.579 2.186 . . . . 0.0 112.361 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.567 HD13 ' OE2' ' A' ' 54' ' ' GLU . 3.3 tt 55.99 62.46 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -60.01 -32.89 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.03 58.19 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.567 ' OE2' HD13 ' A' ' 51' ' ' LEU . 5.5 tt0 -105.65 17.09 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -58.49 -30.73 67.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.74 -53.52 0.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.3 t80 -65.99 -40.68 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.75 -49.01 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 83' ' ' VAL . 5.8 ptmt -60.13 -44.2 95.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -68.22 -43.84 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.706 ' HA ' HD21 ' A' ' 31' ' ' LEU . 4.1 m-20 -58.73 -45.41 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 98' ' ' LEU . 8.0 tp -66.25 -53.83 32.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.771 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.83 -53.57 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.31 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.34 -55.36 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -61.09 -54.8 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 63' ' ' ALA . 56.6 t -51.36 -51.13 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -28.98 67.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -64.57 -40.67 95.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.609 ' OH ' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -91.23 -20.01 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.454 ' OD1' HG12 ' A' ' 67' ' ' VAL . 9.7 m120 -84.72 -23.94 29.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.654 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.21 -36.28 24.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 111.407 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -50.16 -45.52 53.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.5 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.6 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.489 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.5 178.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.346 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.58 -175.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.51 44.83 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.686 HD11 ' CG1' ' A' ' 67' ' ' VAL . 3.8 pp -59.76 178.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -136.41 119.25 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -69.85 149.47 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 108' ' ' LYS . 11.1 m -103.6 -36.29 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HG2' HG23 ' A' ' 81' ' ' VAL . 12.8 ptt85 174.86 165.81 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.766 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -88.41 140.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.37 -17.72 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.386 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.801 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.5 mttt -145.81 153.6 41.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.56 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.92 132.01 10.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 154.9 47.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -112.81 142.32 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -141.48 154.48 45.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -124.14 117.93 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.5 m -160.24 100.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 70.4 m 60.51 25.89 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.02 -113.09 0.58 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.161 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.8 mmt -145.95 114.63 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.16 124.38 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -108.28 126.25 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.278 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -112.76 97.43 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.297 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.9 pt? -123.74 141.59 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.42 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -106.72 139.49 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.486 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.766 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.3 m -137.0 160.82 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.515 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -89.31 140.61 29.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.013 HG21 ' CE2' ' A' ' 111' ' ' TYR . 14.8 m -113.96 151.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.469 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -135.17 135.94 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.673 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -137.26 86.72 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.59 30.24 6.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.367 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -39.24 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 109.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.752 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.7 tptm -105.96 133.49 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -153.49 -178.93 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.123 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -130.17 113.9 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 1.013 ' CE2' HG21 ' A' ' 102' ' ' VAL . 10.5 m-30 -117.4 141.31 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.607 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.94 142.21 27.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -132.04 133.24 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 1.4 ptpp? -123.78 115.87 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.9 t -108.75 150.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.251 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.3 t90 -122.65 142.84 50.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 27.1 tt0 -153.89 127.1 8.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.478 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.0 mp0 -100.15 175.33 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -114.97 -37.33 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.415 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.5 p90 -83.52 -21.42 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.995 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.3 tpp -97.28 -25.3 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.657 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.37 38.55 12.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 142.02 51.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -148.08 133.2 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.746 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -162.77 170.66 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.683 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -77.4 132.72 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.645 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.29 -62.33 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.979 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -147.06 156.63 43.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 111.327 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.6 t80 -137.41 109.14 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 6.6 p -98.98 151.4 20.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.834 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 26.6 p90 -111.32 111.36 22.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.46 -170.41 2.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.94 -70.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -176.96 166.87 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 1.123 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.786 0.327 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 46' ' ' ILE . . . -59.22 -29.94 67.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 61.58 77.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -112.73 56.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.9 mm-40 61.0 53.26 2.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 74.5 Cg_endo -75.06 126.39 9.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tttt 62.05 116.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -177.16 166.4 1.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.52 125.86 13.97 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.554 2.169 . . . . 0.0 112.214 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -93.41 156.11 40.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.4 Cg_endo -75.24 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.27 119.69 20.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.28 159.66 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -177.27 87.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.59 176.94 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.92 163.28 52.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.0 Cg_endo -71.75 162.12 43.04 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.507 2.138 . . . . 0.0 112.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.83 -41.21 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.59 170.53 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 154.57 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.14 82.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.14 161.16 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.83 -176.08 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -131.78 170.68 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 60.56 31.63 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -158.64 -74.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.61 148.34 37.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.19 42.36 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.767 HD11 ' CD2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -131.99 127.4 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.551 ' N ' HD13 ' A' ' 29' ' ' LEU . 1.9 t60 -108.86 -175.18 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -176.35 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 60.78 36.65 19.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -125.95 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.52 162.37 20.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 71.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 59.18 82.59 0.23 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 40.7 Cg_exo -56.95 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -163.77 -167.1 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -157.71 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -132.43 91.12 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 169.65 17.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.166 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.11 158.8 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 173.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.4 -173.92 45.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 -163.83 11.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.749 HD11 ' OE1' ' A' ' 89' ' ' GLN . 19.8 mm -82.93 63.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.984 0.421 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -177.09 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.46 133.28 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.02 64.36 40.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 20.1 Cg_exo -65.46 -66.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.582 2.188 . . . . 0.0 112.335 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.614 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 56.58 54.18 7.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.933 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -58.41 -30.76 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.61 58.01 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.53 17.24 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -58.44 -42.98 88.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.3 -47.8 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.559 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.767 ' CD2' HD11 ' A' ' 29' ' ' LEU . 89.0 m-85 -66.13 -39.02 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -71.07 -50.09 37.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.3 ptmt -59.78 -41.65 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.98 -45.36 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.55 -48.02 82.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.617 HD21 HD22 ' A' ' 98' ' ' LEU . 6.8 tp -64.18 -53.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.27 -54.42 36.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -36.18 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.72 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.55 -59.54 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.67 -53.88 53.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.3 t -51.35 -52.76 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.69 -30.96 71.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' HD22 ' A' ' 126' ' ' LEU . 14.4 tm-20 -62.64 -41.65 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -92.02 -17.25 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.733 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.0 m120 -88.07 -20.49 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.535 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.47 -35.0 21.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.71 0.291 . . . . 0.0 111.292 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.18 -85.01 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.375 -179.529 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.44 13.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.325 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.1 t30 -84.96 -165.55 1.23 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.11 -164.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 88.12 2.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.896 HD22 HG11 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -111.42 -177.52 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.771 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -140.98 127.63 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.75 149.45 39.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG21 ' HE3' ' A' ' 108' ' ' LYS . 9.5 m -104.17 -37.32 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.2 ptt180 174.65 166.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.831 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.97 142.03 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.222 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.861 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -117.04 -15.13 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.529 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.861 ' HG3' HG13 ' A' ' 84' ' ' VAL . 9.6 mttm -147.63 155.94 42.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 111.094 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.614 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -155.41 126.97 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 160.8 37.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' HG2' ' CE1' ' A' ' 96' ' ' HIS . 64.3 mt-10 -117.13 158.91 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.749 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -162.51 141.67 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.2 t -108.72 121.19 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.277 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.6 m -160.1 96.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 69.4 m 61.41 25.84 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.82 -114.17 0.61 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.223 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 23.9 mmt -145.9 114.67 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.53 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 3.2 ttm -113.42 139.23 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.436 ' CE1' ' HG2' ' A' ' 88' ' ' GLU . 12.7 t60 -126.2 121.42 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.112 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.1 m-85 -101.9 94.0 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.364 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.617 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.92 141.7 47.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.419 -179.4 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.938 HG22 HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -111.26 137.26 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.408 179.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.831 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.74 160.42 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 0.0 111.355 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.4 mt-10 -89.43 135.47 33.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.896 HG11 HD22 ' A' ' 78' ' ' LEU . 17.0 t -124.3 150.41 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.425 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -128.03 146.23 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -147.78 106.19 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.34 29.98 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.94 -27.33 17.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -69.23 109.54 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 tptm -100.06 137.03 39.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.1 mtmt -159.9 171.92 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.938 HD11 HG22 ' A' ' 99' ' ' THR . 11.9 tp -114.48 120.92 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.6 m-85 -120.03 140.95 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.653 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -91.35 142.58 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.873 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.8 129.68 34.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 5.7 ptpt -119.18 117.98 30.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.59 150.14 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.53 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 24.9 t90 -125.51 142.65 51.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 1.4 tm-20 -152.45 125.74 8.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.451 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.29 175.09 5.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.64 -37.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.6 p90 -84.76 -21.0 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.81 -24.93 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.721 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.25 41.13 10.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.07 139.18 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -145.56 128.6 16.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -162.71 172.71 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -77.61 138.87 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.17 -61.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -146.12 157.16 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.084 0.469 . . . . 0.0 111.314 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.873 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.9 t80 -138.27 108.75 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.362 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.9 p -98.94 151.22 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.976 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 22.1 p90 -109.33 106.88 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.462 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.2 mt -88.32 175.52 7.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -58.76 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -161.13 154.67 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.766 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG3' ' CD2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.03 -52.15 66.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.82 79.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.42 -67.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.4 mt-30 -142.12 53.17 2.93 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 74.5 Cg_endo -75.14 137.08 20.94 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.57 2.18 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 60.92 112.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -172.27 154.27 3.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.04 127.73 15.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.258 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.619 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.3 m -100.25 156.13 35.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 72.5 Cg_endo -75.0 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.85 119.56 14.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.67 175.26 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.99 84.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -168.53 -176.96 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -152.95 162.02 27.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.5 Cg_endo -70.53 83.66 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.545 2.164 . . . . 0.0 112.318 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.9 171.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.64 -31.21 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -172.51 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.52 108.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -132.45 -174.63 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.57 35.84 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -106.15 31.62 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -106.5 164.03 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -106.11 96.39 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 60.61 -176.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 -106.09 2.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 18.0 mt -144.66 179.7 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -106.19 -177.96 3.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 32' ' ' GLU . 3.3 tt -170.67 148.77 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 14.7 tt0 -60.35 161.3 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.82 88.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -173.8 172.91 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.38 -179.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' OE1' HD13 ' A' ' 31' ' ' LEU . 5.1 mm-40 -106.24 86.42 2.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.08 179.4 3.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.207 . . . . 0.0 112.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.59 173.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.22 -171.96 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -104.9 149.15 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -172.85 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.52 2.147 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.4 tt -114.76 158.52 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ptp -58.48 144.77 41.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.59 -175.75 44.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.17 -162.62 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.582 HG23 HE22 ' A' ' 89' ' ' GLN . 15.5 mm -87.42 68.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 1' ' ' MET . 0.7 OUTLIER -177.02 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.52 140.17 47.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -141.23 53.0 3.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 19.3 Cg_endo -59.39 -74.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.592 2.195 . . . . 0.0 112.352 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.919 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER 58.49 71.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -60.14 -31.4 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -85.26 64.6 8.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.64 17.18 24.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.38 -37.13 74.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -48.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 29' ' ' LEU . 61.8 m-85 -64.72 -39.0 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.88 -51.01 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.797 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.5 ptmt -59.84 -38.46 82.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.1 -52.04 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -58.31 -43.82 88.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 98' ' ' LEU . 6.9 tp -61.88 -53.33 57.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -54.99 -54.27 45.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -37.5 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.86 -58.8 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.754 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.02 -53.69 55.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 63' ' ' ALA . 53.5 t -51.36 -50.37 28.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -67.77 -28.83 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.37 -41.92 96.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.9 OUTLIER -89.74 -20.15 23.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.5 m120 -84.89 -23.73 28.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.735 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.67 -35.79 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.708 0.289 . . . . 0.0 111.4 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -50.3 -45.21 54.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.535 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.77 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.548 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.72 173.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.201 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.02 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.85 88.4 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.25 -176.47 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.738 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -139.02 133.87 32.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -81.83 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.716 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -104.04 -36.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HG2' HG23 ' A' ' 81' ' ' VAL . 11.7 ptt180 176.09 164.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -89.88 142.11 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.897 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -116.79 -14.85 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.515 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.897 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -147.74 155.89 42.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.86 0.362 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.919 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -160.54 121.78 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.19 151.93 51.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.19 133.55 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.582 HE22 HG23 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -130.99 155.59 46.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -121.61 117.59 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.61 102.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 17.6 m 60.15 26.36 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.788 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.43 -112.35 0.57 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.152 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.476 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.6 mmt -147.48 114.7 6.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 2.8 ttm -113.05 128.64 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -112.04 117.18 31.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.235 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.6 m-85 -103.11 98.63 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -118.46 141.66 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.32 -179.45 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.843 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.22 135.13 52.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.402 179.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -137.42 158.96 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.267 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.0 mt-10 -89.35 130.93 35.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.441 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 78' ' ' LEU . 20.9 t -119.5 150.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -126.06 146.14 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.667 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -151.6 111.46 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.79 29.36 7.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.365 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.24 -27.91 15.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.549 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.22 109.48 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.785 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 2.7 tptm -105.3 131.58 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 1.1 mtpp -157.68 178.2 10.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.175 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.843 HD11 HG22 ' A' ' 99' ' ' THR . 11.3 tp -116.89 121.99 43.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.671 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' N ' HD12 ' A' ' 110' ' ' LEU . 6.1 m-85 -121.18 144.45 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.53 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.7 140.81 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.049 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.864 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.31 127.41 37.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -116.48 117.26 29.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.001 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.64 150.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 23.8 t90 -123.7 143.09 50.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -152.62 123.26 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -100.02 174.2 6.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.948 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.45 -38.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.4 p90 -83.0 -21.19 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.92 -25.23 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.76 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.48 44.35 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.72 138.06 50.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -144.47 126.17 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -162.73 171.95 16.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.151 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.754 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.6 tt -76.89 138.85 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.623 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.619 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -95.19 -62.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -146.22 157.14 43.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.864 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 7.9 t80 -135.55 108.33 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.368 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 17.3 p -99.05 151.25 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.016 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 39.9 p90 -108.8 110.71 22.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.18 -172.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.46 84.07 0.51 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.5 p30 47.83 -177.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 111.581 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.697 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.1 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 60.67 31.55 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -92.3 49.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 60.88 63.64 2.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.67 -61.9 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.547 2.164 . . . . 0.0 112.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -114.82 128.27 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -177.11 149.73 0.82 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -51.63 168.69 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.253 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.3 m -130.41 156.3 79.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 71.6 Cg_endo -74.9 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.0 119.65 22.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.46 161.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -176.35 90.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 165.41 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -136.19 160.46 66.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 58.7 Cg_endo -71.91 165.27 33.07 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.49 93.56 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.45 175.79 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -159.57 95.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.54 111.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.74 119.84 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.69 99.16 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.21 -31.68 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 60.63 102.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.25 -34.16 7.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -135.72 -67.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.61 43.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.789 HD23 ' OE2' ' A' ' 60' ' ' GLU . 4.2 mm? -105.92 165.76 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' O ' HD22 ' A' ' 31' ' ' LEU . 33.9 t-80 -131.49 155.74 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 30' ' ' HIS . 4.2 mm? -131.56 171.02 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.84 -39.8 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.02 -178.26 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -68.81 -49.19 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -65.52 151.49 46.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.98 145.68 31.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.63 -167.81 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.152 . . . . 0.0 112.209 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -167.93 148.06 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.58 172.06 13.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -92.35 139.53 24.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.82 176.73 9.63 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.541 2.161 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.5 tt -116.28 158.94 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.62 175.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 155.49 -118.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.37 -171.75 44.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.784 HD11 ' OE1' ' A' ' 89' ' ' GLN . 30.3 mm -69.69 -11.21 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.586 0.232 . . . . 0.0 111.517 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -109.91 -29.92 8.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 146.61 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.9 52.38 0.28 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 74.3 Cg_endo -75.27 -39.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.5 2.133 . . . . 0.0 112.278 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER 54.6 60.87 3.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.988 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -56.52 -28.52 60.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.48 45.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.795 ' HB2' HD22 ' A' ' 51' ' ' LEU . 27.0 tt0 -94.7 17.21 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -58.49 -29.66 66.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.68 -53.83 0.79 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.579 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 40.4 m-85 -66.02 -40.48 91.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.815 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.21 -49.45 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.685 ' HE3' HG22 ' A' ' 83' ' ' VAL . 7.8 ptmt -59.69 -42.76 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.789 ' OE2' HD23 ' A' ' 29' ' ' LEU . 2.6 mt-10 -67.17 -48.71 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -58.03 -41.12 82.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 98' ' ' LEU . 6.5 tp -65.53 -53.25 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.55 -54.35 45.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.62 -37.22 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.32 -60.13 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.977 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.1 -53.69 55.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.4 t -51.39 -51.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -67.31 -29.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -64.25 -41.6 96.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -90.13 -20.18 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.714 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.7 m120 -84.88 -23.48 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.746 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -83.96 -35.87 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.726 0.298 . . . . 0.0 111.372 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -50.26 -45.34 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.514 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.63 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.567 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.59 173.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 111.22 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.35 -175.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.59 87.76 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.851 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -107.18 -177.04 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -139.49 131.6 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.139 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -78.83 149.58 32.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 101' ' ' GLU . 10.9 m -103.66 -36.66 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.017 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 81' ' ' VAL . 18.1 ptt180 175.09 165.38 0.28 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.83 HG12 ' CG1' ' A' ' 100' ' ' VAL . 6.1 m -88.58 142.77 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.226 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.9 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.4 p -118.31 -13.86 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.542 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.9 ' HG3' HG13 ' A' ' 84' ' ' VAL . 16.7 mttt -148.13 154.53 40.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -154.52 127.62 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.048 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.72 161.58 37.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.762 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -117.72 159.77 22.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.059 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -160.23 142.59 13.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -111.63 118.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.6 m -160.54 101.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 62.3 m 59.59 25.38 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.61 -113.16 0.57 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.194 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -145.92 114.67 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.567 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.12 138.79 49.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.0 125.46 44.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.3 m-85 -107.69 95.89 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.521 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -117.21 141.63 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.95 HG22 HD11 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -111.84 138.51 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.83 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -139.32 158.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 81' ' ' VAL . 21.1 mt-10 -89.46 133.72 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.851 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.24 150.88 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.485 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -128.04 148.87 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.65 109.24 3.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 54.35 29.55 11.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.35 -27.8 15.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.34 109.53 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HE3' HG21 ' A' ' 81' ' ' VAL . 8.2 tptm -102.54 142.57 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 11.2 mttp -165.59 175.73 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -117.67 121.26 40.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.673 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' N ' HD12 ' A' ' 110' ' ' LEU . 5.5 m-85 -120.67 142.26 49.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.2 OUTLIER -93.51 139.85 30.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.063 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.792 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -129.37 132.32 47.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -121.56 116.73 25.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.808 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 125' ' ' GLN . 19.6 t -106.6 150.07 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.567 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 23.5 t90 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.15 122.46 7.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -98.47 173.83 6.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.84 -37.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.409 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -83.25 -20.73 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.18 -24.78 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.742 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.11 44.86 7.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.81 138.67 50.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.97 127.19 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 115' ' ' VAL . 2.8 pm0 -162.71 173.85 13.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.977 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.8 tt -76.7 139.19 40.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -97.83 -58.11 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.269 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -146.93 157.19 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.343 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.792 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 9.2 t80 -139.8 106.79 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.307 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.6 p -99.04 150.21 22.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.025 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.3 p90 -107.04 110.51 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.08 -171.71 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.8 83.74 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.73 -177.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.977 0.417 . . . . 0.0 111.608 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.762 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.11 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 tpp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.0 -26.03 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 64.25 28.98 13.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -92.12 -39.62 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.739 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.443 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -74.74 -53.39 3.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.015 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 72.4 Cg_endo -77.94 -173.47 1.84 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.504 2.136 . . . . 0.0 112.363 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pttp 45.22 39.34 4.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.382 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -132.85 157.41 78.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 -179.95 3.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -128.36 156.45 76.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 70.7 Cg_endo -74.96 -168.1 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.62 -169.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.06 158.1 17.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -152.52 -174.51 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -148.58 -177.99 6.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.25 156.37 41.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 140.06 41.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.565 2.177 . . . . 0.0 112.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.65 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.81 131.74 44.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.57 134.06 49.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.04 161.48 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -98.07 -179.31 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.03 146.62 47.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -106.13 -46.44 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -144.31 158.1 43.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 60.35 80.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -106.33 -74.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.69 -131.59 5.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.1 mm? -88.6 -177.8 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -131.9 88.63 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.6 tp -105.22 140.56 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.33 80.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -175.89 109.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -66.87 -178.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -113.26 90.41 16.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -51.54 -177.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.57 2.18 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.21 -168.89 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.44 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -112.62 91.3 16.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.5 177.76 4.41 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.499 2.133 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -85.26 158.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.419 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -58.64 -177.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.87 154.87 6.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.05 -173.18 48.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 6' ' ' PRO . 26.6 mm -75.37 63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.371 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -179.65 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 133.15 46.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HA ' ' A' ' 87' ' ' LYS . . . -171.55 67.13 0.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.69 -30.06 44.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.49 2.127 . . . . 0.0 112.086 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 86' ' ' ALA . 0.3 OUTLIER 52.31 75.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.054 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.88 -35.75 71.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.52 48.73 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB3' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -93.84 17.17 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.5 -29.6 66.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.52 -39.47 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.19 -55.51 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -56.32 -53.26 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.5 pttt -59.32 -36.54 75.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.008 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.74 -60.34 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.288 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -56.52 -41.13 76.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.208 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 98' ' ' LEU . 7.3 tp -61.36 -53.83 51.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.09 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.799 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.35 -54.29 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.224 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -61.35 -38.78 88.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -57.46 -58.0 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.986 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.31 -54.4 47.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 63' ' ' ALA . 45.7 t -51.31 -51.5 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -66.76 -28.43 68.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.738 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.46 -43.55 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -88.16 -19.47 26.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -85.18 -25.91 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.718 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -82.37 -35.03 28.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.233 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.76 -42.8 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.438 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.4 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 111.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.78 169.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.367 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.71 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.31 89.42 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.731 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -107.42 -176.16 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -139.85 134.22 31.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -81.25 149.51 28.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.665 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 108' ' ' LYS . 7.8 m -104.09 -37.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.008 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' HG2' HG23 ' A' ' 81' ' ' VAL . 7.6 ptt180 175.28 165.54 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.854 HG12 ' CG1' ' A' ' 100' ' ' VAL . 10.5 m -87.86 145.75 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.92 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.2 p -121.71 -11.99 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.92 ' HG3' HG13 ' A' ' 84' ' ' VAL . 27.8 mttt -148.73 149.54 31.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.905 0.383 . . . . 0.0 111.183 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 51' ' ' LEU . . . -145.88 133.89 21.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 1.7 mptp? -146.1 142.41 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.16 145.8 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 12.2 tt0 -145.63 149.64 34.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.633 HG13 ' HE2' ' A' ' 94' ' ' MET . 21.6 t -123.35 116.43 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 90' ' ' VAL . 3.2 m -160.97 106.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.8 t 60.03 26.26 15.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.06 -111.55 0.56 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.225 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.633 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.5 mmt -147.92 114.64 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.78 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.636 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 6.4 ttm -114.87 136.95 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.425 ' CG ' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -121.05 114.88 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -99.12 106.65 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -128.46 141.64 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 0.0 111.281 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.915 HG22 HD11 ' A' ' 110' ' ' LEU . 2.9 m -107.22 140.33 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.453 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.854 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -140.33 159.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.974 0.416 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.4 mt-10 -89.49 133.31 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.731 HG11 HD22 ' A' ' 78' ' ' LEU . 20.8 t -122.12 149.23 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 111.502 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -123.71 147.43 47.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.79 86.67 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 51.94 31.34 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.417 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.73 -39.28 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.545 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.89 109.49 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.739 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -101.49 133.48 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 18.7 mttp -157.01 173.89 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.039 HD22 ' HB2' ' A' ' 135' ' ' ALA . 11.6 tp -116.32 121.17 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.563 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 6.2 m-85 -121.82 144.44 48.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.58 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -97.43 144.01 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.827 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -135.75 136.83 41.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpt -121.1 119.12 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.5 p -106.56 150.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.636 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.6 t90 -127.55 143.3 51.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -153.14 124.96 7.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.462 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.8 mp0 -101.13 174.78 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -115.8 -37.85 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -83.39 -21.34 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -25.46 15.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.675 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.4 44.31 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.15 140.87 50.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.784 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 126.14 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -162.67 175.36 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.289 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.986 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.3 tt -80.62 139.91 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.726 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.408 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -95.41 -59.63 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -146.71 157.18 43.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.827 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 6.4 t80 -138.45 106.84 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.429 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.0 p -99.03 151.3 21.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.432 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -111.25 111.85 23.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.821 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.5 mt -87.24 -169.82 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.18 -67.34 1.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -177.01 161.19 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 1.039 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.72 -54.97 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 60.26 31.49 20.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -67.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -151.76 54.11 1.26 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' O ' HG11 ' A' ' 91' ' ' VAL . 58.7 Cg_endo -71.71 -38.09 4.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.557 2.171 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -132.17 108.22 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.36 164.83 2.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.77 141.31 53.92 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.614 2.209 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.4 m -108.7 156.44 38.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 68.9 Cg_endo -74.71 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.47 119.74 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.34 159.89 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.91 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -168.89 170.7 8.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -132.09 160.15 69.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 57.4 Cg_endo -71.26 178.24 5.71 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.557 2.172 . . . . 0.0 112.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.93 78.07 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.87 167.27 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.21 117.5 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.59 111.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.72 118.82 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.32 115.52 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.02 151.07 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -105.16 137.75 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 60.4 85.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.31 109.0 16.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.65 134.79 7.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 57' ' ' PHE . 23.2 mt 60.24 176.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CZ ' ' A' ' 57' ' ' PHE . 8.0 m170 -131.68 -176.57 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD21 ' OE1' ' A' ' 36' ' ' GLU . 14.7 mt -131.98 167.25 19.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -107.04 -47.18 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -169.61 -48.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -60.3 167.12 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -74.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.709 ' OE1' HD21 ' A' ' 31' ' ' LEU . 6.5 mm-40 -154.58 68.66 5.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 167.98 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.54 2.16 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.46 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.29 -169.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -104.16 149.17 36.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.18 -168.13 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.578 2.185 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.1 tp -120.06 154.45 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.475 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -55.14 146.32 18.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.018 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.82 -163.81 34.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.76 -163.24 9.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.828 HD11 ' OE1' ' A' ' 89' ' ' GLN . 23.6 mm -75.94 77.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.57 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.02 124.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -139.99 52.25 3.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 71.9 Cg_endo -77.33 -42.82 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.401 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.789 HD22 ' HG2' ' A' ' 54' ' ' GLU . 1.0 OUTLIER 56.52 73.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.955 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -63.86 -49.51 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -70.65 65.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.789 ' HG2' HD22 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -105.62 17.19 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.205 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.39 -30.59 66.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.824 0.345 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.99 -48.92 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.563 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -64.0 -40.61 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 110.789 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -69.83 -52.61 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 83' ' ' VAL . 6.3 ptmt -58.58 -45.86 88.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -60.19 -47.67 84.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.847 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -63.47 -53.79 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.755 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.47 -53.64 55.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -38.94 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.04 -54.94 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.936 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.15 -55.65 32.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 63' ' ' ALA . 46.8 t -52.9 -54.43 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -63.51 -29.41 70.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.32 -43.48 90.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -88.94 -15.0 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 67' ' ' VAL . 3.5 m120 -86.79 -33.9 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.408 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -73.89 -36.17 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.348 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -43.18 54.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.452 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.97 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.739 0.304 . . . . 0.0 111.278 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.7 171.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.396 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.01 -169.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.99 40.19 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -53.84 175.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -142.36 133.21 25.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 111.18 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.6 OUTLIER -84.59 149.45 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 101' ' ' GLU . 4.5 m -104.39 -35.61 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.055 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 176.29 164.25 0.41 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.794 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.9 m -86.96 143.1 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.238 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.871 HG13 ' HG3' ' A' ' 85' ' ' LYS . 10.0 p -117.15 -15.59 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.503 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.871 ' HG3' HG13 ' A' ' 84' ' ' VAL . 17.8 mttt -147.32 154.81 41.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.798 0.333 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -156.69 136.05 12.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.84 157.7 43.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.92 147.68 34.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.828 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -146.42 142.31 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -114.65 116.61 53.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.7 m -159.92 103.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 t 59.75 27.22 16.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.11 -111.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.202 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.401 ' HE2' HG13 ' A' ' 90' ' ' VAL . 25.7 mmt -144.87 114.56 7.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.817 0.341 . . . . 0.0 110.785 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.558 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.4 ttm -115.07 127.37 55.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -111.09 131.69 54.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.184 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 114' ' ' LYS . 4.3 m-85 -119.33 101.76 8.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.847 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -126.5 141.7 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.052 0.454 . . . . 0.0 111.269 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.868 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -106.03 142.76 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.589 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.794 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -140.27 158.53 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.26 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 81' ' ' VAL . 16.3 mt-10 -89.28 124.3 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.305 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 78' ' ' LEU . 9.9 t -114.03 144.61 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.069 0.461 . . . . 0.0 111.704 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -121.19 150.79 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -150.07 105.63 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.88 29.8 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.42 -27.44 16.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -70.12 109.48 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.506 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.4 tptm -94.26 140.96 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 15.1 mttt -159.98 -178.71 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.397 . . . . 0.0 111.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 HG22 ' A' ' 99' ' ' THR . 9.8 tp -128.41 115.81 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 7.1 m-85 -117.49 140.01 50.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.552 ' CA ' HG23 ' A' ' 99' ' ' THR . 1.3 tt0 -92.27 145.47 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.78 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.863 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . . . -134.86 134.32 40.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.175 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 97' ' ' TYR . 1.1 ptpp? -123.33 116.07 22.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 62' ' ' LEU . 12.7 p -106.71 150.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.558 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 22.2 t90 -123.2 145.94 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.28 121.68 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.0 OUTLIER -101.88 176.29 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.868 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.36 -36.57 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -84.64 -20.57 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -97.5 -23.19 16.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.727 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.49 50.98 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.56 143.64 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.713 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -153.77 119.07 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -162.75 174.15 12.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.177 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.936 HD12 ' HB1' ' A' ' 66' ' ' ALA . 2.3 tt -74.25 139.99 44.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.443 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -97.12 -59.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -146.75 156.96 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.061 0.458 . . . . 0.0 111.202 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.863 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 6.2 t80 -136.14 109.78 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.417 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.9 p -99.01 151.2 21.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.044 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.434 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 25.6 p90 -111.2 111.12 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.72 -169.33 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -104.63 83.68 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 p30 47.85 -178.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.68 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.834 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.077 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.788 0.328 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.97 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 60.87 79.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -102.12 -75.17 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 89.8 mm-40 -152.2 53.95 1.19 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 59.0 Cg_endo -71.89 -28.09 16.9 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.588 2.192 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.61 107.2 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.65 157.36 1.2 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.81 179.52 1.75 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.577 2.185 . . . . 0.0 112.273 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.2 m -132.42 156.14 80.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 74.5 Cg_endo -75.3 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.94 119.73 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.59 157.69 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -177.37 76.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -157.57 177.39 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.11 169.13 14.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.767 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 69.7 Cg_endo -74.86 173.97 13.54 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.517 2.144 . . . . 0.0 112.355 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.37 113.2 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.03 -169.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 60.55 88.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.87 34.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -106.07 150.33 25.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 60.54 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -95.36 154.85 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -106.03 124.34 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.35 110.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 60.31 82.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.94 78.55 1.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 29' ' ' LEU . 4.4 mm? -62.91 128.14 34.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -86.31 83.12 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.6 tt -131.04 128.77 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -134.77 89.82 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.51 35.83 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t0 61.21 112.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 60.81 -177.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 6.1 mm-40 -114.3 87.7 14.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -177.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.41 174.58 10.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.43 -174.71 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -107.84 87.5 3.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.81 140.83 43.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.545 2.164 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.6 tt -84.53 158.5 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.2 OUTLIER -58.4 -177.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.95 -146.57 14.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.03 -156.18 7.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 46' ' ' ILE . 24.8 mm -97.55 36.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -166.19 108.72 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -164.53 -66.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . 58.12 52.89 5.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 73.1 Cg_endo -76.92 -45.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.585 2.19 . . . . 0.0 112.409 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 49.33 44.51 23.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.132 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -57.51 -30.65 65.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -95.98 69.24 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -105.58 17.1 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.7 -31.02 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.88 -45.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.89 -50.18 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.74 -36.24 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.774 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 83' ' ' VAL . 5.1 ttpt -62.14 -49.38 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 2.6 mt-10 -74.26 -38.66 63.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.36 -49.99 75.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 110.502 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 98' ' ' LEU . 5.7 tp -68.95 -53.61 19.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -56.11 -53.17 60.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.8 0.333 . . . . 0.0 111.218 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -41.05 97.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 36' ' ' GLU . 58.3 t80 -56.12 -56.03 25.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.53 -54.76 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.0 t -51.36 -54.38 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -65.11 -31.34 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.92 -40.67 98.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -93.52 -16.24 24.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 78' ' ' LEU . 9.4 m120 -88.27 -21.61 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.392 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -83.69 -35.21 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 111.32 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -46.44 -85.43 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.61 14.58 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 1.2 t30 -83.84 -165.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.346 . . . . 0.0 110.983 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.71 -164.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.89 89.48 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.824 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -113.34 -176.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.763 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -140.12 129.39 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -78.44 149.75 33.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.623 179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 27.4 m -105.8 -38.59 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 81' ' ' VAL . 15.5 ptm180 176.87 166.35 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.824 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.1 m -90.0 141.55 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.211 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.817 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.8 p -114.53 -18.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.817 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.8 mttt -145.6 155.78 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . . . -153.32 123.94 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 158.79 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.001 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -119.25 159.45 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.566 ' OE1' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -163.26 142.93 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.3 t -109.6 118.84 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 90' ' ' VAL . 5.3 m -159.57 100.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 20.2 m 60.35 24.41 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.23 -114.15 0.62 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 25.2 mmt -145.33 114.67 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -112.79 143.39 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -132.02 122.4 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.195 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.7 m-85 -104.31 93.73 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.12 141.67 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.436 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.82 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.34 134.34 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.438 179.569 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.824 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.1 m -134.54 160.86 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.96 0.409 . . . . 0.0 111.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.28 134.32 34.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.824 HG11 HD22 ' A' ' 78' ' ' LEU . 22.1 t -124.59 148.82 28.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.312 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -123.4 144.8 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.747 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.38 86.67 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.084 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 53.56 29.31 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.361 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.95 -38.23 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -67.81 109.51 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.34 130.22 46.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -156.14 169.13 25.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 135' ' ' ALA . 10.6 tp -112.56 121.72 45.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.48 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 6.0 m-85 -119.2 143.46 47.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.625 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -94.48 139.55 31.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.82 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -131.99 131.43 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.7 ptpt -119.43 117.78 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.9 t -106.62 150.07 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.517 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -126.88 142.25 51.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 124' ' ' ARG . 5.6 tm-20 -152.48 126.32 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 3.0 mp0 -99.61 174.96 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.9 p -115.39 -37.22 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.5 p90 -84.43 -21.08 30.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -25.0 15.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.26 40.43 11.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.66 139.53 53.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.401 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -146.1 129.52 16.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.74 174.02 13.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.656 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.6 tt -79.96 137.55 36.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.673 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -93.21 -61.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -146.56 157.15 43.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.477 . . . . 0.0 111.278 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.82 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 8.0 t80 -139.11 105.85 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.294 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.7 p -99.08 151.21 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.006 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.7 p90 -107.77 109.93 21.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.17 -171.65 3.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.71 -79.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -165.84 161.19 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.856 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 tpp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.454 ' HB1' ' HG3' ' A' ' 4' ' ' GLU . . . -57.88 -26.69 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.59 30.72 0.54 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.507 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 63.6 mt-10 -77.83 -48.85 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -73.85 -57.13 2.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.944 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 5' ' ' GLN . 67.7 Cg_endo -74.74 171.43 18.24 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.5 2.133 . . . . 0.0 112.335 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.85 77.27 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.02 166.75 1.35 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.95 163.44 37.54 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.503 2.135 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -135.14 156.52 78.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.6 Cg_endo -74.35 -168.24 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.16 119.81 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.16 150.1 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -176.8 103.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -176.54 179.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -131.12 163.6 48.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.638 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 55.6 Cg_endo -70.08 176.83 6.48 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.583 2.189 . . . . 0.0 112.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.7 -42.19 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.97 79.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -95.93 -31.74 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.23 146.31 29.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.75 140.1 32.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.27 165.05 33.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.09 175.7 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.84 152.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -105.56 107.28 18.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.66 -175.43 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.39 -50.03 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 4.4 pp -139.54 149.88 44.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -175.28 151.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.66 -169.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -161.12 140.54 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -170.23 -66.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.67 78.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.09 76.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 59.77 87.7 0.13 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.12 -176.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -176.58 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -128.74 144.87 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -106.89 87.43 2.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 -168.86 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.577 2.185 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.3 tt -114.87 158.52 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.4 ' HB2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -58.42 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.95 -149.65 21.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.2 176.58 20.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 89' ' ' GLN . 28.0 mm -74.59 75.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.092 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -177.71 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.9 153.15 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -164.23 52.65 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 77.6 Cg_endo -77.58 -42.7 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.564 2.176 . . . . 0.0 112.504 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER 57.03 104.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.909 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -85.57 -49.39 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -74.14 64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' CG ' HD22 ' A' ' 51' ' ' LEU . 48.4 mt-10 -102.02 17.07 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -59.3 -30.45 68.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.96 -46.65 1.08 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 76.6 m-85 -62.81 -51.62 66.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.75 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.62 -51.74 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.78 ' HE3' HG22 ' A' ' 83' ' ' VAL . 10.8 ptmt -60.64 -33.79 73.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.18 -60.28 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.256 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -57.21 -40.48 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.845 HD21 HD22 ' A' ' 98' ' ' LEU . 7.0 tp -61.53 -53.78 51.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -57.06 -53.93 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -37.77 84.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -58.21 -58.95 6.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.932 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -58.58 -54.44 47.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.6 t -51.38 -50.9 26.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -30.71 71.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.802 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' OE1' HD22 ' A' ' 126' ' ' LEU . 13.6 tm-20 -62.85 -44.65 95.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -90.39 -15.57 30.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 75' ' ' ASN . 23.9 t-20 -88.25 -22.16 24.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.689 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -85.22 -34.44 22.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 111.424 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.81 -43.76 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.767 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.49 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 0.0 111.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 10.0 t-20 -44.59 166.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.375 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.9 -165.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.556 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.0 97.28 5.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.705 HD13 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -116.39 -177.15 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.743 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -143.92 135.81 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -79.17 149.53 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 82' ' ' ARG . 12.4 m -103.66 -36.62 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 8.0 ptt85 176.09 164.13 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.795 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.7 m -89.02 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.916 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.5 p -118.79 -13.68 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.63 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.916 ' HG3' HG13 ' A' ' 84' ' ' VAL . 15.1 mttt -148.43 156.58 42.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.873 0.368 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.567 ' CB ' HD12 ' A' ' 51' ' ' LEU . . . -157.97 126.96 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.29 156.99 46.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -131.65 143.57 50.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.059 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -154.74 154.79 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.799 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.5 t -105.89 124.66 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.8 m -160.26 96.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.704 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 15.3 m 61.42 26.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.54 -112.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.075 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.9 114.7 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.792 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.528 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.3 ttm -113.45 133.4 55.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.76 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 98' ' ' LEU . 4.6 t60 -122.02 123.29 41.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.053 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -105.92 94.75 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.44 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -113.02 141.58 46.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.295 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.875 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.48 137.62 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.795 ' CG1' HG12 ' A' ' 83' ' ' VAL . 2.8 m -139.85 157.57 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.277 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.0 mt-10 -89.34 132.34 34.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.438 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.705 HG11 HD13 ' A' ' 78' ' ' LEU . 18.9 t -119.61 151.72 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -124.28 144.43 49.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.13 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.31 31.0 8.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.377 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.87 -39.22 1.95 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.18 109.51 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' NZ ' HG21 ' A' ' 81' ' ' VAL . 9.9 tptm -105.03 137.19 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 32.5 mttt -161.07 175.59 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.875 HD11 HG22 ' A' ' 99' ' ' THR . 12.6 tp -116.13 121.51 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.703 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 109' ' ' LYS . 4.8 m-85 -122.1 142.74 50.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.685 ' HA ' HG23 ' A' ' 99' ' ' THR . 1.1 tt0 -93.89 140.38 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.76 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -130.9 128.43 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.9 ptpt -116.38 116.1 27.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.67 150.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.528 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.4 t90 -125.0 143.15 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -151.88 124.7 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.9 mp0 -100.2 174.65 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 12.1 p -115.53 -37.57 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.0 p90 -83.68 -21.02 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -25.04 15.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.742 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.41 42.55 8.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.1 140.22 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 127.54 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -162.76 172.77 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.251 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.932 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.7 tt -78.58 135.1 37.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -90.77 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -146.11 157.17 43.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.129 0.49 . . . . 0.0 111.318 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.76 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 10.5 t80 -137.41 107.68 6.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.302 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.1 p -99.04 148.33 24.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.01 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.44 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 29.4 p90 -105.73 109.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.7 mt -89.71 -170.94 3.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -102.71 83.46 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 47.14 -175.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.976 0.417 . . . . 0.0 111.609 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.774 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.527 ' SD ' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.01 -55.57 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 179.37 155.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -169.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -167.16 53.49 0.26 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 81.7 Cg_endo -77.73 135.42 14.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.557 2.171 . . . . 0.0 112.429 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 43.09 92.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.544 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -155.51 165.22 18.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 140.45 57.19 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.527 2.151 . . . . 0.0 112.196 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 127' ' ' GLN . 4.0 m -100.87 155.51 36.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.15 -167.89 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.326 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.78 119.68 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.26 178.42 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -146.0 -53.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.52 -171.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -106.51 168.13 8.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 60.2 Cg_endo -72.78 142.02 34.8 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.573 2.182 . . . . 0.0 112.344 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 121.38 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.62 168.38 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -72.65 159.51 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.38 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -137.55 153.47 49.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.98 101.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.19 138.3 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -105.19 174.73 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 60.43 80.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -132.42 110.05 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.67 -66.42 1.42 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 3.8 mm? -92.38 142.19 27.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -106.16 154.38 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -166.47 -169.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.84 133.62 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -72.79 80.17 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.81 79.97 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 60.31 -178.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -119.53 78.93 21.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.3 166.28 0.77 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.583 2.189 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -175.97 -168.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -148.83 167.02 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -88.56 143.72 32.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HB3' ' ND1' ' A' ' 96' ' ' HIS . 73.7 Cg_endo -75.06 -168.23 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.568 2.179 . . . . 0.0 112.367 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -111.58 166.17 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.32 147.57 1.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.286 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.15 162.07 13.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.576 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.91 -142.86 13.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.527 HG22 ' SD ' ' A' ' 1' ' ' MET . 8.0 mm -98.22 33.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -135.06 -45.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.009 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.41 126.33 24.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 50' ' ' PRO . . . -137.79 51.04 3.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 18.1 Cg_endo -60.97 -73.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.491 2.127 . . . . 0.0 112.385 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.674 HD13 ' CB ' ' A' ' 86' ' ' ALA . 1.6 tt 60.89 79.65 0.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.76 -31.36 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -78.89 61.85 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.551 ' HB3' HD23 ' A' ' 51' ' ' LEU . 21.2 pt-20 -99.08 17.14 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.253 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -58.73 -41.45 86.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.91 -45.47 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.745 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 94.8 m-85 -67.24 -40.18 86.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.65 -48.6 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.661 ' HE3' HG22 ' A' ' 83' ' ' VAL . 9.3 ptmt -62.38 -40.32 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.84 -50.53 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.76 -45.38 86.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.824 HD21 HD22 ' A' ' 98' ' ' LEU . 6.0 tp -61.65 -53.16 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.64 -54.33 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -36.92 83.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.12 -56.94 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.867 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -60.4 -54.22 48.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 63' ' ' ALA . 44.8 t -51.32 -54.05 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -65.81 -29.81 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -63.98 -40.55 96.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.5 ' CE2' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -91.35 -20.22 22.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.061 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 78' ' ' LEU . 10.8 m120 -84.58 -23.33 29.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -83.98 -36.09 23.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.289 . . . . 0.0 111.38 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -50.31 -45.67 54.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.528 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.52 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.544 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -49.64 174.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.807 0.337 . . . . 0.0 111.246 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.17 -173.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.03 88.57 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.897 HD22 HG11 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -106.39 -177.34 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.715 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -138.23 130.7 29.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -80.79 149.47 29.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.633 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.559 HG21 ' HE2' ' A' ' 108' ' ' LYS . 12.3 m -103.93 -36.33 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HG2' HG23 ' A' ' 81' ' ' VAL . 6.5 ptt180 175.31 165.17 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.815 HG12 ' CG1' ' A' ' 100' ' ' VAL . 5.2 m -88.98 141.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.866 HG13 ' HG3' ' A' ' 85' ' ' LYS . 8.8 p -114.64 -16.54 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.866 ' HG3' HG13 ' A' ' 84' ' ' VAL . 23.2 mttt -147.72 155.42 41.7 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.674 ' CB ' HD13 ' A' ' 51' ' ' LEU . . . -156.15 121.26 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -134.2 161.46 34.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -119.91 158.72 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' NE2' ' CE1' ' A' ' 97' ' ' TYR . 4.4 tt0 -152.7 160.05 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.705 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.1 t -124.2 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.323 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 90' ' ' VAL . 4.0 m -160.27 96.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 58.6 m 61.97 24.15 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.71 -116.33 0.72 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.224 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.4 mmt -146.12 114.77 6.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -109.0 148.85 30.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 41' ' ' PRO . 7.3 t60 -132.71 115.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' NE2' ' A' ' 89' ' ' GLN . 4.0 m-85 -99.65 94.11 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.824 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -114.86 141.63 47.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.314 -179.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.933 HG22 HD11 ' A' ' 110' ' ' LEU . 1.1 m -112.61 136.7 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.504 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.815 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -136.91 160.34 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 81' ' ' VAL . 15.7 mt-10 -89.33 129.74 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.897 HG11 HD22 ' A' ' 78' ' ' LEU . 21.3 t -117.96 149.06 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 0.0 111.514 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -124.57 146.74 48.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -132.46 86.65 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 52.4 30.9 8.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.422 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.83 -38.91 2.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -68.53 109.46 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.702 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -100.01 134.77 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.59 172.53 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.933 HD11 HG22 ' A' ' 99' ' ' THR . 10.7 tp -115.35 120.46 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.617 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 7.6 m-85 -119.83 143.7 47.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.602 ' HA ' HG23 ' A' ' 99' ' ' THR . 0.3 OUTLIER -95.45 142.02 28.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.891 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -134.08 132.01 39.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 2.5 ptpp? -122.21 118.85 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 150.09 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.498 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 25.0 t90 -123.06 141.18 52.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -152.65 127.14 9.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -104.97 176.58 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.69 -36.2 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.412 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 40.8 p90 -85.51 -21.38 28.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -97.56 -24.21 15.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 62.5 49.86 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.6 137.86 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 125.12 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -162.7 172.55 15.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.867 HD12 ' HB1' ' A' ' 66' ' ' ALA . 1.8 tt -76.98 139.92 40.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.752 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -96.19 -62.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -145.26 157.17 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.107 0.479 . . . . 0.0 111.432 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.891 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.7 t80 -137.97 107.66 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.16 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 14.4 p -98.94 151.25 21.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 30.3 p90 -109.27 108.58 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.468 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.0 mt -89.28 176.26 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -60.71 -79.34 0.12 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -168.0 154.86 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.82 -55.55 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 60.24 80.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -128.29 -47.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 51.7 mm-40 -157.52 54.11 0.76 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 57.0 Cg_endo -71.04 -45.5 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.548 2.166 . . . . 0.0 112.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -134.69 123.81 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.01 160.15 1.49 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 157.46 6.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.559 2.172 . . . . 0.0 112.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.4 m -130.22 156.48 79.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 67.5 Cg_endo -74.53 -168.19 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.616 2.211 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.48 119.74 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 162.4 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -169.38 102.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.5 -179.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.648 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -140.62 163.99 39.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.648 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 56.6 Cg_endo -70.77 144.6 49.11 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.538 2.159 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.52 96.12 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.48 -176.09 4.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -151.0 117.27 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.36 -179.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.33 153.49 29.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.56 -64.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.01 124.33 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -150.03 133.59 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.618 ' HG3' HG12 ' A' ' 81' ' ' VAL . 4.5 mm-40 -67.75 87.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -101.93 -178.37 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.99 -45.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.1 mm? -105.82 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -134.65 85.19 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 31' ' ' LEU . 8.6 tt -164.88 134.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.59 -67.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 60.07 36.75 21.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 62.51 118.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.83 -177.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -114.52 87.4 14.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 -176.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.597 2.198 . . . . 0.0 112.37 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -134.61 -178.55 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.46 179.79 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -105.65 87.82 2.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.59 155.39 66.63 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.572 2.181 . . . . 0.0 112.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.37 158.6 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.9 ptp -58.3 -176.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.18 -160.63 26.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.36 -133.86 2.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 46' ' ' ILE . 19.8 mm -98.39 30.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -130.26 -45.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.96 110.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' ' HG3' ' A' ' 87' ' ' LYS . . . -140.34 52.38 3.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 49' ' ' ALA . 72.2 Cg_endo -76.72 -33.86 2.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.541 2.161 . . . . 0.0 112.373 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.4 tt 55.83 52.04 11.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -58.37 -31.4 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -80.88 61.0 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -98.73 17.15 20.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -59.33 -30.77 68.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.01 -45.18 1.27 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -68.0 -37.9 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.64 -50.2 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HE3' HG22 ' A' ' 83' ' ' VAL . 2.6 ptmt -59.93 -45.69 91.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 3.4 mm-40 -68.52 -39.92 80.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.72 -50.03 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.829 ' HG ' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -65.24 -53.85 38.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -53.91 -54.39 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.251 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -35.95 80.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -64.3 -58.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -57.31 -55.39 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 63' ' ' ALA . 52.6 t -51.51 -58.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.967 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -32.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.957 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.79 -45.78 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -90.53 -9.55 46.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.6 ' OD1' HD12 ' A' ' 78' ' ' LEU . 2.0 m120 -91.8 -26.17 18.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.668 0.27 . . . . 0.0 111.36 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -76.75 -32.04 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -50.16 -82.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.78 24.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.79 -166.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 111.347 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.84 -27.02 60.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.383 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.96 82.54 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.001 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.021 HD13 HG11 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -109.68 -172.61 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -133.54 131.78 40.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.273 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.62 149.37 26.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.618 HG12 ' HG3' ' A' ' 26' ' ' GLU . 8.7 m -105.86 -37.57 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 81' ' ' VAL . 3.5 ptt180 176.74 164.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.816 HG12 ' CG1' ' A' ' 100' ' ' VAL . 3.9 m -90.66 143.0 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.785 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.2 p -114.94 -19.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.306 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.785 ' HG3' HG13 ' A' ' 84' ' ' VAL . 20.1 mttt -145.49 153.25 40.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.787 ' HB3' HD12 ' A' ' 51' ' ' LEU . . . -157.28 136.61 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.414 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -146.0 160.0 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.642 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -128.5 139.2 52.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 97' ' ' TYR . 2.7 pt20 -144.61 150.56 37.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.7 t -101.65 126.23 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.384 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 90' ' ' VAL . 2.4 m -162.82 97.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.651 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 7.8 m 61.28 25.55 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.46 -109.68 0.5 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.077 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.452 ' HE2' HG13 ' A' ' 90' ' ' VAL . 24.1 mmt -148.53 114.65 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.796 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.657 ' HE3' ' CD1' ' A' ' 116' ' ' TRP . 4.1 ttm -114.37 129.83 56.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.763 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -110.94 125.06 53.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 3.9 m-85 -112.96 102.38 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.325 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.829 HD21 ' HG ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -129.53 141.73 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 0.0 111.538 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -104.73 138.22 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.479 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.816 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.2 m -137.09 161.33 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 111.427 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 81' ' ' VAL . 8.2 mt-10 -89.3 133.89 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.341 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.021 HG11 HD13 ' A' ' 78' ' ' LEU . 15.8 t -128.39 142.95 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.962 0.411 . . . . 0.0 111.618 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -119.61 150.84 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.546 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -150.19 107.26 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 55.6 29.95 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.55 -27.92 15.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 109.53 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.354 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.3 tptm -101.45 137.0 40.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 12.1 mttm -159.37 174.83 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 ' HB2' ' A' ' 135' ' ' ALA . 12.3 tp -114.0 120.18 39.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.543 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.457 ' HE2' HD22 ' A' ' 78' ' ' LEU . 6.0 m-85 -120.8 141.63 50.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.124 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CA ' HG23 ' A' ' 99' ' ' THR . 0.0 OUTLIER -93.8 144.58 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.686 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -136.79 135.87 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.288 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.445 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -124.15 121.03 34.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.99 150.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.657 ' CD1' ' HE3' ' A' ' 95' ' ' MET . 25.8 t90 -123.91 143.11 50.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.87 124.64 7.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.472 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 1.3 mp0 -100.36 174.49 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.53 -38.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 41.2 p90 -82.56 -21.05 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.44 -24.97 15.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.666 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.24 49.45 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.93 149.05 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.86 131.14 11.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.77 174.21 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.176 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.643 HD12 ' HB1' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -80.62 134.65 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.729 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.414 ' NE2' ' CB ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -89.78 -63.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -146.5 157.22 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.073 0.463 . . . . 0.0 111.336 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.686 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 5.6 t80 -137.1 106.55 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.25 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 15.0 p -99.01 151.26 21.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 35.9 p90 -111.4 110.26 20.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.413 HD12 ' HG ' ' A' ' 110' ' ' LEU . 5.0 mt -88.15 -169.46 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.96 -80.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -167.61 149.53 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.892 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HB3' HG21 ' A' ' 46' ' ' ILE . 29.9 tpp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 3' ' ' ASP . . . -75.02 -37.96 61.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 1.1 t70 84.82 -21.13 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.702 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.82 -40.17 55.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.64 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -87.27 -50.94 0.43 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.953 179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 5' ' ' GLN . 49.3 Cg_exo -55.79 136.07 72.63 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.526 2.151 . . . . 0.0 112.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 61.21 94.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.97 163.72 4.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.24 179.72 2.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.548 2.165 . . . . 0.0 112.198 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 4.1 m -148.39 155.71 42.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 10' ' ' VAL . 73.1 Cg_endo -76.08 -167.68 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.704 2.27 . . . . 0.0 112.284 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.65 119.51 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.03 156.98 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -176.93 99.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -176.87 169.4 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -130.17 162.08 56.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 59.4 Cg_endo -72.26 161.85 43.31 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.527 2.151 . . . . 0.0 112.347 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.84 78.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.13 173.14 6.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -136.35 151.36 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.45 -169.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.37 128.23 44.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.64 -71.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -60.39 111.09 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -106.24 89.74 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.47 -45.12 4.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -176.5 152.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.79 138.04 49.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -176.57 142.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.6 t-80 -77.87 85.74 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 HD21 ' OD1' ' A' ' 61' ' ' ASP . 6.8 tp -165.03 170.45 15.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 61.89 77.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -148.39 -47.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.72 -48.3 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.68 -173.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -103.97 91.11 3.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 47.0 Cg_endo -68.66 -167.65 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.49 2.127 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.33 -168.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -140.54 -174.61 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -111.56 98.02 38.99 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 174.44 8.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.452 2.101 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 43' ' ' MET . 9.0 tp -109.88 155.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.6 ' CE ' HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -54.12 145.68 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.26 -146.18 4.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.36 -141.35 4.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 46' ' ' ILE . 20.3 mm -107.82 31.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -177.11 111.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.44 -166.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 50' ' ' PRO . . . -138.94 64.21 33.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 49' ' ' ALA . 37.2 Cg_exo -61.21 -19.85 65.47 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.721 2.281 . . . . 0.0 112.421 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -58.88 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.978 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -94.39 78.8 3.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.8 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -92.48 17.15 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.44 -30.85 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.82 -51.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 29' ' ' LEU . 24.1 m-85 -59.25 -44.95 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.16 -54.82 12.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 83' ' ' VAL . 1.6 ptmt -56.82 -45.74 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.75 -40.87 88.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.564 ' OD1' HD21 ' A' ' 31' ' ' LEU . 11.8 m-20 -58.11 -50.03 74.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.802 HD21 HD22 ' A' ' 98' ' ' LEU . 3.9 tp -64.93 -51.97 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -55.19 -54.37 44.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' NH2' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.58 -34.98 76.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -59.81 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 126' ' ' LEU . . . -59.94 -54.15 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 63' ' ' ALA . 48.2 t -51.33 -54.14 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 12.9 ttm180 -65.23 -31.76 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.15 -43.02 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -92.39 -15.91 26.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.05 -18.9 26.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.468 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -86.99 -34.49 19.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 111.307 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -44.92 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.484 -179.481 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.31 14.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.82 -166.39 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.331 . . . . 0.0 110.955 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.03 -162.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.9 88.86 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -111.04 -178.01 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.736 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.6 128.74 16.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.19 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -75.52 149.52 38.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' HE3' ' A' ' 108' ' ' LYS . 13.0 m -105.13 -36.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HG2' HG23 ' A' ' 81' ' ' VAL . 4.3 ptt85 175.85 164.6 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.833 HG12 ' CG1' ' A' ' 100' ' ' VAL . 4.4 m -92.0 144.57 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.478 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.923 HG13 ' HG3' ' A' ' 85' ' ' LYS . 9.6 p -120.23 -15.31 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.923 ' HG3' HG13 ' A' ' 84' ' ' VAL . 37.9 mttt -147.0 154.01 40.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 51' ' ' LEU . . . -153.42 129.0 10.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.1 159.64 41.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -139.83 136.24 33.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 111.237 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -136.64 160.02 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.662 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.4 t -105.39 122.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.42 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 90' ' ' VAL . 10.4 m -159.39 97.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.408 ' O ' ' CZ2' ' A' ' 120' ' ' TRP . 33.5 m 60.82 27.0 16.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.684 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.57 -111.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.123 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 24.7 mmt -146.99 114.67 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 116' ' ' TRP . 2.2 ttm -111.82 146.66 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -135.56 119.93 17.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.183 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 114' ' ' LYS . 4.2 m-85 -103.36 103.87 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.401 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.802 HD22 HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -117.68 141.63 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.349 -179.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.754 HG22 HD11 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -111.46 129.99 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.833 ' CG1' HG12 ' A' ' 83' ' ' VAL . 3.0 m -134.9 160.82 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.327 . . . . 0.0 111.329 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' VAL . 12.8 mt-10 -89.31 131.72 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 78' ' ' LEU . 15.5 t -119.75 151.35 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 111.349 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.11 143.88 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.782 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -143.38 105.55 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 56.97 29.71 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.273 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.3 -27.3 17.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.573 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -67.94 109.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.583 ' HE3' HG21 ' A' ' 81' ' ' VAL . 5.1 tptm -96.71 133.09 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 4.5 mttp -156.41 173.0 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 135' ' ' ALA . 14.5 tp -114.83 118.93 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 131' ' ' TYR . 8.8 m-85 -119.24 146.73 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.14 146.72 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.754 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . . . -138.24 134.91 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 97' ' ' TYR . 3.4 ptpt -117.49 118.3 31.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.929 0.395 . . . . 0.0 110.983 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.2 t -106.5 150.13 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.032 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' HB2' ' HE2' ' A' ' 95' ' ' MET . 26.6 t90 -128.79 142.26 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.037 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -151.68 125.92 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.47 ' CG ' ' CZ2' ' A' ' 116' ' ' TRP . 2.2 mp0 -100.37 174.65 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 10.7 p -114.76 -37.64 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 92' ' ' SER . 39.3 p90 -82.96 -21.17 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.032 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 tpp -97.52 -25.36 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.64 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.27 40.31 11.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.04 143.9 51.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.19 129.24 14.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -162.72 175.11 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 66' ' ' ALA . 3.1 tt -85.85 139.26 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.408 ' HB2' ' HG3' ' A' ' 114' ' ' LYS . 5.5 mp0 -97.83 -55.69 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.257 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.78 154.97 42.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.29 0.567 . . . . 0.0 111.696 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.812 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 -135.92 108.53 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.995 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 16.4 p -98.97 151.48 20.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.167 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.454 ' HA ' ' CD1' ' A' ' 111' ' ' TYR . 37.6 p90 -112.23 110.3 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.474 HD12 ' HG ' ' A' ' 110' ' ' LEU . 3.5 mt -87.76 -175.47 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.53 -68.47 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -176.71 161.82 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 110' ' ' LEU . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 stop_ save_